Free Chemical Databases



  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight348.52274 [g/mol]
    Molecular FormulaC21H36N2O2
    XLogP6.4
    H-Bond Donor2
    H-Bond Acceptor4
    Rotatable Bond Count14
    Tautomer Count2
    Exact Mass348.277678
    MonoIsotopic Mass348.277678
    Topological Polar Surface Area64.4
    Heavy Atom Count25
    Formal Charge0
    Complexity350
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [2-(decylamino)-2-methylpropyl] 4-aminobenzoate
    Canonical SMILES: CCCCCCCCCCNC(C)(C)COC(=O)C1=CC=C(C=C1)N
    InChI: InChI=1/C21H36N2O2/c1-4-5-6-7-8-9-10-11-16-23-21(2,
    3)17-25-20(24)18-12-14-19(22)15-13-18/h12-15,23H,4-11,16-17,22H2,1-3H3



Other Chemicals
.21875