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ZINC00569079 N-[2-[(2R)-butan-2-yl]phenyl]-4-ethoxybenzamide,Canonical

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摘 要:ZINC00569079 N-[2-[(2R)-butan-2-yl]phenyl]-4-ethoxybenzamide,Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCC,Isomeric SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCC,InChI: InChI=1/C19H23NO2/c1-4-14(3)17-8-6-7-9-18(17)20-19(21)15-10-12
[Synonyms]
ZINC00569079
[Structure]
ZINC00569079 N-[2-[(2R)-butan-2-yl]phenyl]-4-ethoxybenzamide,Canonical

[ Properties Computed from Structure]
Molecular Weight297.39142 [g/mol]
Molecular FormulaC19H23NO2
XLogP5.1
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count6
Tautomer Count2
Exact Mass297.172879
MonoIsotopic Mass297.172879
Topological Polar Surface Area38.3
Heavy Atom Count22
Formal Charge0
Complexity336
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-ethoxybenzamide
Canonical SMILES: CCC(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCC
Isomeric SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OCC
InChI: InChI=1/C19H23NO2/c1-4-14(3)17-8-6-7-9-18(17)20-19(21)15-10-12-16(13-11-
15)22-5-2/h6-14H,4-5H2,1-3H3,(H,20,21)/t14-/m1/s1/f/h20H

 
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