Cas no 76282-14-9 (2-Propenamide, N-[3-(dioctadecylamino)propyl]-2-methyl-)

2-Propenamide, N-[3-(dioctadecylamino)propyl]-2-methyl- structure
76282-14-9 structure
Product Name:2-Propenamide, N-[3-(dioctadecylamino)propyl]-2-methyl-
CAS No:76282-14-9
MF:C43H86N2O
MW:647.155753612518
CID:538075
PubChem ID:71403581
Update Time:2025-04-19

2-Propenamide, N-[3-(dioctadecylamino)propyl]-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenamide, N-[3-(dioctadecylamino)propyl]-2-methyl-
    • N-[3-(dioctadecylamino)propyl]-2-methylprop-2-enamide
    • DTXSID90824479
    • 76282-14-9
    • Inchi: 1S/C43H86N2O/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-45(41-37-38-44-43(46)42(3)4)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h3,5-41H2,1-2,4H3,(H,44,46)
    • InChI Key: OPMQAUSFPAANIX-UHFFFAOYSA-N
    • SMILES: O=C(C(=C)C)NCCCN(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 646.67401537g/mol
  • Monoisotopic Mass: 646.67401537g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 46
  • Rotatable Bond Count: 39
  • Complexity: 582
  • 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: 18.6
  • Topological Polar Surface Area: 32.3?2
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