Cas no 21073-96-1 (Butanamide, N-hexadecyl-3-oxo-)

Butanamide, N-hexadecyl-3-oxo- structure
21073-96-1 structure
Product Name:Butanamide, N-hexadecyl-3-oxo-
CAS No:21073-96-1
MF:C20H39NO2
MW:325.529166460037
CID:238855
PubChem ID:4103065
Update Time:2025-04-19

Butanamide, N-hexadecyl-3-oxo- Chemical and Physical Properties

Names and Identifiers

    • Butanamide, N-hexadecyl-3-oxo-
    • N-hexadecyl-3-oxobutanamide
    • AKOS024366484
    • 21073-96-1
    • DTXSID90399354
    • SCHEMBL11581304
    • Inchi: 1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20(23)18-19(2)22/h3-18H2,1-2H3,(H,21,23)
    • InChI Key: NDSQLYUWCXRSCB-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)=O)NCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 325.29827
  • Monoisotopic Mass: 325.298
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 17
  • Complexity: 289
  • 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: 7.1
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • PSA: 46.17
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