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N-[(2R)-1-[(2,5-dimethylphenyl)amino]-3-methyl-1-oxobutan-2-yl]benzam

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摘 要: N-[(2R)-1-[(2,5-dimethylphenyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide,Canonical SMILES: CC1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2,Isomeric SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CC=CC=C2,InChI: InChI=1/C20H24N2O2/c1-13(2)18(2
[Synonyms]

[Structure]
 N-[(2R)-1-[(2,5-dimethylphenyl)amino]-3-methyl-1-oxobutan-2-yl]benzam

[ Properties Computed from Structure]
Molecular Weight324.41676 [g/mol]
Molecular FormulaC20H24N2O2
XLogP4
H-Bond Donor2
H-Bond Acceptor2
Rotatable Bond Count5
Tautomer Count4
Exact Mass324.183778
MonoIsotopic Mass324.183778
Topological Polar Surface Area58.2
Heavy Atom Count24
Formal Charge0
Complexity429
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: N-[(2R)-1-[(2,5-dimethylphenyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
Canonical SMILES: CC1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2
Isomeric SMILES: CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C(C)C)NC(=O)C2=CC=CC=C2
InChI: InChI=1/C20H24N2O2/c1-13(2)18(22-19(23)16-8-6-5-7-9-16)20(24)21-17-12-14
(3)10-11-15(17)4/h5-13,18H,1-4H3,(H,21,24)(H,22,23)/t18-/m1/s1/f/h21-22H

 
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