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  • NSC168428 N-[4-(cyclohexylmethyl)cyclohexyl]butanamide,Canonical SMILE
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC168428
    [Structure]
    NSC168428 N-[4-(cyclohexylmethyl)cyclohexyl]butanamide,Canonical SMILE

    [ Properties Computed from Structure]
    Molecular Weight530.86828 [g/mol]
    Molecular FormulaC34H62N2O2
    H-Bond Donor2
    H-Bond Acceptor2
    Rotatable Bond Count10
    Tautomer Count3
    Exact Mass530.481129
    MonoIsotopic Mass530.481129
    Topological Polar Surface Area58.2
    Heavy Atom Count38
    Formal Charge0
    Complexity262
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[4-(cyclohexylmethyl)cyclohexyl]butanamide
    Canonical SMILES: CCCC(=O)NC1CCC(CC1)CC2CCCCC2.CCCC(=O)NC1CCC(CC1)CC2CCCCC2
    InChI: InChI=1/2C17H31NO/c2*1-2-6-17(19)18-16-11-9-15(10-12-16)13-14-7-4-3-5-8-
    14/h2*14-16H,2-13H2,1H3,(H,18,19)/f/h2*18H

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