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        当前地位: 九五至尊娱乐在线游戏 » 材料 » 化学物质数据库 » ZINC00030910 (2S)-N-cyclohexyl-N-ethyl-2-(phenoxy)propanamide,Canonica

        ZINC00030910 (2S)-N-cyclohexyl-N-ethyl-2-(phenoxy)propanamide,Canonica

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        九五至尊网址886868:ZINC00030910 (2S)-N-cyclohexyl-N-ethyl-2-(phenoxy)propanamide,Canonical SMILES: CCN(C1CCCCC1)C(=O)C(C)OC2=CC=CC=C2,Isomeric SMILES: CCN(C1CCCCC1)C(=O)[C@H](C)OC2=CC=CC=C2,InChI: InChI=1/C17H25NO2/c1-3-18(15-10-6-4-7-11-15)17(19)14(2)20-16-12-8-5-9-,1
        [Synonyms]
        ZINC00030910
        [Structure]
        ZINC00030910 (2S)-N-cyclohexyl-N-ethyl-2-(phenoxy)propanamide,Canonica

        [ Properties Computed from Structure]
        Molecular Weight275.3859 [g/mol]
        Molecular FormulaC17H25NO2
        XLogP4
        H-Bond Donor0
        H-Bond Acceptor2
        Rotatable Bond Count5
        Exact Mass275.188529
        MonoIsotopic Mass275.188529
        Topological Polar Surface Area29.5
        Heavy Atom Count20
        Formal Charge0
        Complexity293
        Isotope Atom Count0
        Defined Atom StereoCenter Count1
        Undefined Atom StereoCenter Count0
        Defined Bond StereoCenter Count0
        Undefined Bond StereoCenter Count0
        Covalently-Bonded Unit Count1

        [ Descriptors Computed from Structure]
        IUPAC Name: (2S)-N-cyclohexyl-N-ethyl-2-(phenoxy)propanamide
        Canonical SMILES: CCN(C1CCCCC1)C(=O)C(C)OC2=CC=CC=C2
        Isomeric SMILES: CCN(C1CCCCC1)C(=O)[C@H](C)OC2=CC=CC=C2
        InChI: InChI=1/C17H25NO2/c1-3-18(15-10-6-4-7-11-15)17(19)14(2)20-16-12-8-5-9-
        13-16/h5,8-9,12-15H,3-4,6-7,10-11H2,1-2H3/t14-/m0/s1

         
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