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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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