Cas no 59512-21-9 (N,N-dimethyl-2-[3-(phenylcarbonyl)phenyl]propanamide)

N,N-dimethyl-2-[3-(phenylcarbonyl)phenyl]propanamide structure
59512-21-9 structure
Product Name:N,N-dimethyl-2-[3-(phenylcarbonyl)phenyl]propanamide
CAS No:59512-21-9
MF:C18H19NO2
MW:281.348964929581
CID:1615041
PubChem ID:3042316
Update Time:2025-04-21

N,N-dimethyl-2-[3-(phenylcarbonyl)phenyl]propanamide Chemical and Physical Properties

Names and Identifiers

    • N,N-dimethyl-2-[3-(phenylcarbonyl)phenyl]propanamide
    • 2-(3-benzoylphenyl)-N,N-dimethylpropanamide
    • 2-(3-Benzoylphenyl)-N,N-dimethylpropionamide
    • DB-323278
    • 59512-21-9
    • BRN 2986556
    • DTXSID70974926
    • Propionamide, 2-(3-benzoylphenyl)-N,N-dimethyl-
    • Inchi: 1S/C18H19NO2/c1-13(18(21)19(2)3)15-10-7-11-16(12-15)17(20)14-8-5-4-6-9-14/h4-13H,1-3H3
    • InChI Key: ICEJJANOGABWPA-UHFFFAOYSA-N
    • SMILES: O=C(C(C)C1C=CC=C(C(C2C=CC=CC=2)=O)C=1)N(C)C

Computed Properties

  • Exact Mass: 281.14167
  • Monoisotopic Mass: 281.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 371
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 37.4?2

Experimental Properties

  • Density: 1.1236 (rough estimate)
  • Boiling Point: 424.01°C (rough estimate)
  • Refractive Index: 1.5100 (estimate)
  • PSA: 37.38
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