Cas no 81713-77-1 (Octadecanamide, N-(4-nitrophenyl)-)

Octadecanamide, N-(4-nitrophenyl)- structure
81713-77-1 structure
Product Name:Octadecanamide, N-(4-nitrophenyl)-
CAS No:81713-77-1
MF:C24H40N2O3
MW:404.586007118225
CID:703382
PubChem ID:21226385
Update Time:2025-04-19

Octadecanamide, N-(4-nitrophenyl)- Chemical and Physical Properties

Names and Identifiers

    • Octadecanamide, N-(4-nitrophenyl)-
    • N-(4-nitrophenyl)octadecanamide
    • DTXSID80611496
    • N-octadecanoyl-4-nitroaniline
    • 4'-nitro-n-octadecaneanilide
    • 81713-77-1
    • SCHEMBL7776199
    • QAOSXQUJMCSBGZ-UHFFFAOYSA-N
    • Inchi: 1S/C24H40N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-22-18-20-23(21-19-22)26(28)29/h18-21H,2-17H2,1H3,(H,25,27)
    • InChI Key: QAOSXQUJMCSBGZ-UHFFFAOYSA-N
    • SMILES: O=C(CCCCCCCCCCCCCCCCC)NC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 404.30389314g/mol
  • Monoisotopic Mass: 404.30389314g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 17
  • Complexity: 415
  • 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: 9.6
  • Topological Polar Surface Area: 74.9?2
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