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  • butyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate,Can
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]
    butyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate,Can

    [ Properties Computed from Structure]
    Molecular Weight338.4418 [g/mol]
    Molecular FormulaC18H30N2O4
    XLogP3
    H-Bond Donor3
    H-Bond Acceptor5
    Rotatable Bond Count11
    Tautomer Count2
    Exact Mass338.220557
    MonoIsotopic Mass338.220557
    Topological Polar Surface Area79.8
    Heavy Atom Count24
    Formal Charge0
    Complexity357
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: butyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate
    Canonical SMILES: CCCCOC(=O)NC1=CC=CC=C1OCC(CNC(C)(C)C)O
    InChI: InChI=1/C18H30N2O4/c1-5-6-11-23-17(22)20-15-9-7-8-10-16(15)24-13-14(21)
    12-19-18(2,3)4/h7-10,14,19,21H,5-6,11-13H2,1-4H3,(H,20,22)/f/h20H

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