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ZINC00569077 N-[2-[(2R)-butan-2-yl]phenyl]-4-propan-2-yloxybenzamide,C

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摘 要:ZINC00569077 N-[2-[(2R)-butan-2-yl]phenyl]-4-propan-2-yloxybenzamide,Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(C)C,Isomeric SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(C)C,InChI: InChI=1/C20H25NO2/c1-5-15(4)18-8-6-7-9-19(18)21-
[Synonyms]
ZINC00569077
[Structure]
ZINC00569077 N-[2-[(2R)-butan-2-yl]phenyl]-4-propan-2-yloxybenzamide,C

[ Properties Computed from Structure]
Molecular Weight311.418 [g/mol]
Molecular FormulaC20H25NO2
XLogP5.6
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count6
Tautomer Count2
Exact Mass311.188529
MonoIsotopic Mass311.188529
Topological Polar Surface Area38.3
Heavy Atom Count23
Formal Charge0
Complexity361
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-[2-[(2R)-butan-2-yl]phenyl]-4-propan-2-yloxybenzamide
Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(C)C
Isomeric SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC(C)C
InChI: InChI=1/C20H25NO2/c1-5-15(4)18-8-6-7-9-19(18)21-20(22)16-10-12-17(13-11-
16)23-14(2)3/h6-15H,5H2,1-4H3,(H,21,22)/t15-/m1/s1/f/h21H

 
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