Cas no 352689-64-6 (N-(4-Acetylphenyl)-4-isopropylbenzamide)

N-(4-Acetylphenyl)-4-isopropylbenzamide is a synthetic organic compound featuring both amide and acetyl functional groups, making it a versatile intermediate in pharmaceutical and chemical research. Its molecular structure, combining an aromatic acetyl moiety with an isopropyl-substituted benzamide, offers potential utility in medicinal chemistry, particularly in the development of bioactive molecules. The compound’s well-defined structure and purity make it suitable for precise synthetic applications, including the study of structure-activity relationships. Its stability under standard conditions ensures reliable handling and storage. Researchers value this compound for its potential role in designing novel therapeutic agents or as a building block in complex organic synthesis.
N-(4-Acetylphenyl)-4-isopropylbenzamide structure
352689-64-6 structure
Product Name:N-(4-Acetylphenyl)-4-isopropylbenzamide
CAS No:352689-64-6
MF:C18H19NO2
MW:281.348964929581
CID:1085862
PubChem ID:874305
Update Time:2025-08-04

N-(4-Acetylphenyl)-4-isopropylbenzamide Chemical and Physical Properties

Names and Identifiers

    • N-(4-Acetylphenyl)-4-isopropylbenzamide
    • N-(4-acetylphenyl)-4-propan-2-ylbenzamide
    • AC1LI4J5
    • AG-F-21916
    • AK-968
    • CTK4H4149
    • MolPort-001-502-758
    • STK412624
    • SR-01000228198-1
    • AK-968/12163379
    • CS-0320242
    • DB-288068
    • Cambridge id 6119627
    • BS-36728
    • MFCD01355874
    • SR-01000228198
    • AKOS000203714
    • DTXSID70357997
    • N-(4-acetylphenyl)-4-(propan-2-yl)benzamide
    • 352689-64-6
    • MDL: MFCD01355874
    • Inchi: 1S/C18H19NO2/c1-12(2)14-4-6-16(7-5-14)18(21)19-17-10-8-15(9-11-17)13(3)20/h4-12H,1-3H3,(H,19,21)
    • InChI Key: UGDDEIFVMBNURG-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)C(C)C)NC1C=CC(C(C)=O)=CC=1

Computed Properties

  • Exact Mass: 281.14167
  • Monoisotopic Mass: 281.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 361
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • PSA: 46.17

N-(4-Acetylphenyl)-4-isopropylbenzamide Pricemore >>

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Additional information on N-(4-Acetylphenyl)-4-isopropylbenzamide

Introduction to N-(4-Acetylphenyl)-4-isopropylbenzamide (CAS No. 352689-64-6)

N-(4-Acetylphenyl)-4-isopropylbenzamide, identified by its Chemical Abstracts Service (CAS) number 352689-64-6, is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound belongs to the class of amides, a structural motif widely recognized for its diverse biological activities and potential therapeutic applications. The unique combination of an acetyl group and an isopropyl substituent in its molecular structure imparts distinct chemical properties that make it a subject of interest for further investigation.

The molecular structure of N-(4-Acetylphenyl)-4-isopropylbenzamide consists of a benzene ring substituted with both an acetyl group at the 4-position and an isopropyl group at the 4-position on the adjacent benzene ring. This arrangement creates a rigid framework that can interact with biological targets in specific ways, potentially modulating various physiological processes. The presence of the acetyl group enhances the compound's ability to form hydrogen bonds, while the isopropyl group contributes to its lipophilicity, making it suitable for membrane interactions and cellular uptake.

In recent years, there has been a growing interest in amide-based compounds due to their versatility in drug design. Amides are known for their stability, bioavailability, and ability to act as pharmacophores in numerous therapeutic classes. N-(4-Acetylphenyl)-4-isopropylbenzamide is no exception and has been explored for its potential role in various pharmacological contexts. Its structural features suggest that it may exhibit properties such as analgesic, anti-inflammatory, or even neuroprotective effects, although these hypotheses require further experimental validation.

The synthesis of N-(4-Acetylphenyl)-4-isopropylbenzamide involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. The process typically begins with the formation of an amide bond between 4-acetylaniline and 4-isopropybenzoic acid or its derivatives. Advanced techniques such as palladium-catalyzed cross-coupling reactions may also be employed to introduce the isopropyl group efficiently. The optimization of synthetic pathways is crucial for producing sufficient quantities of the compound for both laboratory research and potential clinical trials.

The pharmacological potential of N-(4-Acetylphenyl)-4-isopropylbenzamide has been investigated in several preclinical studies. These studies have focused on understanding how the compound interacts with biological targets such as enzymes and receptors. For instance, preliminary data suggest that it may inhibit certain enzymes involved in inflammation pathways, making it a candidate for developing novel anti-inflammatory agents. Additionally, its ability to cross the blood-brain barrier could make it valuable in treating central nervous system disorders.

In vitro studies have demonstrated that N-(4-Acetylphenyl)-4-isopropylbenzamide exhibits moderate affinity for certain protein targets, which could translate into therapeutic effects when tested in vivo. However, more comprehensive research is needed to fully elucidate its mechanism of action and to assess its safety profile. Collaborative efforts between synthetic chemists and biologists are essential to bridge the gap between laboratory findings and clinical applications.

The development of new pharmaceuticals relies heavily on innovative chemical synthesis techniques that enhance efficiency and sustainability. The production of N-(4-Acetylphenyl)-4-isopropylbenzamide exemplifies this trend, as researchers strive to develop greener synthetic routes that minimize waste and reduce environmental impact. Techniques such as flow chemistry and biocatalysis are being explored to improve the synthesis process while maintaining high yields and purity standards.

The future prospects for N-(4-Acetylphenyl)-4-isopropylbenzamide appear promising, particularly if it demonstrates efficacy in clinical trials. Its unique structural features offer a foundation for designing derivatives with enhanced pharmacological properties. By leveraging computational methods such as molecular docking and virtual screening, researchers can identify modifications that optimize binding affinity and selectivity against target proteins.

In conclusion, N-(4-Acetylphenyl-)
-isopropylbenzamide (CAS No.
352689-64-6) represents a significant compound
in the realm of chemical biology
and drug discovery. Its structural
features and preliminary
pharmacological data suggest
a broad range of potential applications,
from anti-inflammatory treatments
to neuroprotective therapies.
Further research is warranted
to fully explore its
therapeutic potential and
to develop effective synthetic
strategies for large-scale production.

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