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  • [Synonyms]
    NSC168426
    CV5572000
    Benzamide, N-(4-methylcyclohexyl)-, (cis)- and (trans)- mixture
    (Z)-N-(4-Methylcyclohexyl)benzamide and (E)-N-(4-methylcyclohexyl)benzamide

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight434.61352 [g/mol]
    Molecular FormulaC28H38N2O2
    H-Bond Donor2
    H-Bond Acceptor2
    Rotatable Bond Count4
    Tautomer Count3
    Exact Mass434.293328
    MonoIsotopic Mass434.293328
    Topological Polar Surface Area58.2
    Heavy Atom Count32
    Formal Charge0
    Complexity225
    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-methylcyclohexyl)benzamide; N-(4-methylcyclohexyl)benzamide
    Canonical SMILES: CC1CCC(CC1)NC(=O)C2=CC=CC=C2.CC1CCC(CC1)NC(=O)C2=CC=CC=C2
    InChI: InChI=1/2C14H19NO/c2*1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2*2-
    6,11,13H,7-10H2,1H3,(H,15,16)/f/h2*15H



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