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ZINC00364846 (2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamid

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摘 要:ZINC00364846 (2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide,Canonical SMILES: CC1=CC(=CC=C1)NC(=O)C(C)OC2=C(C=C(C=C2)C)C,Isomeric SMILES: CC1=CC(=CC=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C)C,InChI: InChI=1/C18H21NO2/c1-12-6-5-7-16(11-12)19-18(2
[Synonyms]
ZINC00364846
[Structure]
ZINC00364846 (2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamid

[ Properties Computed from Structure]
Molecular Weight283.36484 [g/mol]
Molecular FormulaC18H21NO2
XLogP4.3
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count4
Tautomer Count2
Exact Mass283.157229
MonoIsotopic Mass283.157229
Topological Polar Surface Area38.3
Heavy Atom Count21
Formal Charge0
Complexity344
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)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
Canonical SMILES: CC1=CC(=CC=C1)NC(=O)C(C)OC2=C(C=C(C=C2)C)C
Isomeric SMILES: CC1=CC(=CC=C1)NC(=O)[C@H](C)OC2=C(C=C(C=C2)C)C
InChI: InChI=1/C18H21NO2/c1-12-6-5-7-16(11-12)19-18(20)15(4)21-17-9-8-13(2)10-
14(17)3/h5-11,15H,1-4H3,(H,19,20)/t15-/m0/s1/f/h19H

 
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