Cas no 86583-04-2 (N,N''-butane-1,4-diylbistricyclo[3.3.1.1~3,7~]decane-1-carboxamide)

N,N''-butane-1,4-diylbistricyclo[3.3.1.1~3,7~]decane-1-carboxamide structure
86583-04-2 structure
Product Name:N,N''-butane-1,4-diylbistricyclo[3.3.1.1~3,7~]decane-1-carboxamide
CAS No:86583-04-2
MF:C26H40N2O2
MW:412.60800743103
CID:991770
PubChem ID:335735
Update Time:2025-04-20

N,N''-butane-1,4-diylbistricyclo[3.3.1.1~3,7~]decane-1-carboxamide Chemical and Physical Properties

Names and Identifiers

    • N,N''-butane-1,4-diylbistricyclo[3.3.1.1~3,7~]decane-1-carboxamide
    • N-[4-(adamantane-1-carbonylamino)butyl]adamantane-1-carboxamide
    • N-{4-[(1-ADAMANTYLCARBONYL)AMINO]BUTYL}-1-ADAMANTANECARBOXAMIDE
    • 86583-04-2
    • AKOS000579077
    • N,N'-1,4-butanediyldi(1-adamantanecarboxamide)
    • NSC346557
    • AKOS040824958
    • DTXSID30319531
    • NSC-346557
    • STK365671
    • DS-011906
    • N,N'-butane-1,4-diylbistricyclo[3.3.1.1~3,7~]decane-1-carboxamide
    • Inchi: 1S/C26H40N2O2/c29-23(25-11-17-5-18(12-25)7-19(6-17)13-25)27-3-1-2-4-28-24(30)26-14-20-8-21(15-26)10-22(9-20)16-26/h17-22H,1-16H2,(H,27,29)(H,28,30)
    • InChI Key: JCNWBPKQFBLUSI-UHFFFAOYSA-N
    • SMILES: O=C(C12CC3CC(CC(C3)C1)C2)NCCCCNC(C12CC3CC(CC(C3)C1)C2)=O

Computed Properties

  • Exact Mass: 412.308978523g/mol
  • Monoisotopic Mass: 412.308978523g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 571
  • 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: 4.7
  • Topological Polar Surface Area: 58.2?2
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