Cas no 31191-21-6 (2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)-)

2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)- structure
31191-21-6 structure
Product Name:2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)-
CAS No:31191-21-6
MF:C16H14N2O3
MW:282.293963909149
CID:320534
PubChem ID:5351237
Update Time:2025-04-19

2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenamide,N-(3-methylphenyl)-3-(4-nitrophenyl)-
    • NSC-139109
    • CHEMBL2006535
    • SR-01000401708-1
    • SR-01000401708
    • (E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
    • CCG-35203
    • SCHEMBL20526857
    • 31191-21-6
    • PD011421
    • AKOS001606129
    • (2E)-N-(3-METHYLPHENYL)-3-(4-NITROPHENYL)PROP-2-ENAMIDE
    • NSC139109
    • Inchi: 1S/C16H14N2O3/c1-12-3-2-4-14(11-12)17-16(19)10-7-13-5-8-15(9-6-13)18(20)21/h2-11H,1H3,(H,17,19)/b10-7+
    • InChI Key: VPNQICVSXJMXGC-JXMROGBWSA-N
    • SMILES: O=C(/C=C/C1C=CC(=CC=1)[N+](=O)[O-])NC1=CC=CC(C)=C1

Computed Properties

  • Exact Mass: 282.10052
  • Monoisotopic Mass: 282.10044231g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 395
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 74.9?2

Experimental Properties

  • PSA: 72.24
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