咨询热线:028-85335741
药品资讯网--新药研发行业门户!

  • NSC67266,25233-44-7, 3-oxo-N,N-dipropylbutanamide,Canonical SMILES: CC
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    NSC67266
    25233-44-7

    [Structure]
    NSC67266,25233-44-7, 3-oxo-N,N-dipropylbutanamide,Canonical SMILES: CC

    [ Properties Computed from Structure]
    Molecular Weight185.26336 [g/mol]
    Molecular FormulaC10H19NO2
    XLogP1.5
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count6
    Tautomer Count5
    Exact Mass185.141579
    MonoIsotopic Mass185.141579
    Topological Polar Surface Area37.4
    Heavy Atom Count13
    Formal Charge0
    Complexity172
    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: 3-oxo-N,N-dipropylbutanamide
    Canonical SMILES: CCCN(CCC)C(=O)CC(=O)C
    InChI: InChI=1/C10H19NO2/c1-4-6-11(7-5-2)10(13)8-9(3)12/h4-8H2,1-3H3

赞助商链接

推荐专业资料
赞助商链接