Cas no 17186-60-6 ((2S)-2-acetamido-N-methyl-3-phenyl-propanamide)

(2S)-2-acetamido-N-methyl-3-phenyl-propanamide structure
17186-60-6 structure
Product Name:(2S)-2-acetamido-N-methyl-3-phenyl-propanamide
CAS No:17186-60-6
MF:C12H16N2O2
MW:220.267642974854
CID:137035
PubChem ID:7019860
Update Time:2025-10-28

(2S)-2-acetamido-N-methyl-3-phenyl-propanamide Chemical and Physical Properties

Names and Identifiers

    • (S)-2-Acetamido-N-methyl-3-phenylpropanamide
    • (2S)-2-acetamido-N-methyl-3-phenylpropanamide
    • Ac-Phe-NHMe
    • Benzenepropanamide, a-(acetylamino)-N-methyl-, (aS)-
    • Acetyl-L-phenylalanine methyl amide
    • acetylphenylalanine methylamide
    • Benzenepropanamide,a-(acetylamino)-N-methyl-,(S)
    • Hydrocinnamamide,a-acetamido-N-methyl-,L-(8CI)
    • N-acetyl-L-phenylalanine methylamide
    • N-Acetyl-L-phenylalanin-methylamid
    • N-Acetyl-N'-methyl-L-phenylalaninamide
    • N-Acetyl-N'-methylphenylalaninamide
    • N-Acetyl-N'-methylphenylalanylamide
    • N-Acetylphenylalanine methylamide
    • AC-PHENYLALANINE-NHME
    • (2S)-2-acetamido-N-methyl-3-phenyl-propanamide
    • F10692
    • J-010774
    • AS-46843
    • Nalpha-Acetyl-N-methyl-L-phenylalaninamide
    • SCHEMBL13956933
    • MFCD00237509
    • AKOS022181253
    • DTXSID50427187
    • Benzenepropanamide,a-(acetylamino)-N-methyl-,(as)-
    • 17186-60-6
    • Inchi: 1S/C12H16N2O2/c1-9(15)14-11(12(16)13-2)8-10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,16)(H,14,15)/t11-/m0/s1
    • InChI Key: RLHSJVFEMKHRDJ-NSHDSACASA-N
    • SMILES: O=C([C@H](CC1C=CC=CC=1)NC(C)=O)NC

Computed Properties

  • Exact Mass: 220.12100
  • Monoisotopic Mass: 220.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 247
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • PSA: 58.20000
  • LogP: 1.26160

(2S)-2-acetamido-N-methyl-3-phenyl-propanamide Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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(2S)-2-acetamido-N-methyl-3-phenyl-propanamide Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:17186-60-6)(2S)-2-acetamido-N-methyl-3-phenyl-propanamide
Order Number:A1071246
Stock Status:in Stock
Quantity:250mg/1g/5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 18:46
Price ($):176.0/438.0/1535.0

Additional information on (2S)-2-acetamido-N-methyl-3-phenyl-propanamide

Comprehensive Overview of (S)-2-Acetamido-N-methyl-3-phenylpropanamide (CAS No. 17186-60-6)

(S)-2-Acetamido-N-methyl-3-phenylpropanamide, identified by its CAS number 17186-60-6, is a chiral organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, often referred to as a phenylpropanamide derivative, is characterized by its unique stereochemistry and functional groups, making it a valuable intermediate in the synthesis of bioactive molecules. The (S)-enantiomer configuration is particularly noteworthy due to its potential interactions with biological targets, which are often stereospecific.

The molecular structure of (S)-2-Acetamido-N-methyl-3-phenylpropanamide includes an acetamido group, a methylamino moiety, and a phenyl ring, which collectively contribute to its physicochemical properties. These properties include moderate solubility in polar organic solvents and a melting point range that makes it suitable for various synthetic applications. Researchers are increasingly interested in this compound due to its potential role in developing enzyme inhibitors and receptor modulators, particularly in the context of neurological and metabolic disorders.

In recent years, the demand for chiral building blocks like (S)-2-Acetamido-N-methyl-3-phenylpropanamide has surged, driven by the growing emphasis on enantioselective synthesis in drug discovery. This trend aligns with the broader pharmaceutical industry's focus on precision medicine and targeted therapies. The compound's versatility is further highlighted by its use in peptide mimetics and small-molecule probes, which are essential tools for studying protein-ligand interactions.

From a synthetic chemistry perspective, CAS 17186-60-6 can be prepared through multi-step organic reactions, including amide coupling and stereoselective reduction. The purity and enantiomeric excess of the final product are critical parameters, often assessed using techniques such as HPLC and chiral chromatography. These quality control measures ensure that the compound meets the stringent requirements of pharmaceutical applications.

The commercial availability of (S)-2-Acetamido-N-methyl-3-phenylpropanamide has also expanded, with several specialty chemical suppliers offering it as a research-grade reagent. This accessibility has facilitated its adoption in academic and industrial laboratories worldwide. Additionally, the compound's stability under standard storage conditions (e.g., room temperature, inert atmosphere) makes it a practical choice for long-term research projects.

Beyond its immediate applications, (S)-2-Acetamido-N-methyl-3-phenylpropanamide is part of a broader class of N-methylated amides, which are being explored for their bioactivity and drug-like properties. For instance, similar compounds have shown promise as neuroprotective agents and anti-inflammatory compounds, sparking interest in further structure-activity relationship (SAR) studies. The integration of computational chemistry and machine learning in drug design has also opened new avenues for optimizing such molecules.

In summary, (S)-2-Acetamido-N-methyl-3-phenylpropanamide (CAS No. 17186-60-6) represents a versatile and valuable compound in modern chemical research. Its unique structural features, combined with its potential therapeutic applications, make it a subject of ongoing investigation. As the scientific community continues to explore chiral chemistry and drug development, this compound is likely to remain a key player in advancing our understanding of molecular interactions and biological pathways.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:17186-60-6)(2S)-2-acetamido-N-methyl-3-phenyl-propanamide
A1071246
Purity:99%/99%/99%
Quantity:250mg/1g/5g
Price ($):176.0/438.0/1535.0
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