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STK167965,ZINC00037713,AN-652/12717090, 3-cyclohexyl-N-(3-methoxypheny

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摘 要:STK167965,ZINC00037713,AN-652/12717090, 3-cyclohexyl-N-(3-methoxyphenyl)propanamide,Canonical SMILES: COC1=CC=CC(=C1)NC(=O)CCC2CCCCC2,InChI: InChI=1/C16H23NO2/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-,13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(
[Synonyms]
STK167965
ZINC00037713
AN-652/12717090

[Structure]
STK167965,ZINC00037713,AN-652/12717090, 3-cyclohexyl-N-(3-methoxypheny

[ Properties Computed from Structure]
Molecular Weight261.35932 [g/mol]
Molecular FormulaC16H23NO2
XLogP4.5
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count5
Tautomer Count2
Exact Mass261.172879
MonoIsotopic Mass261.172879
Topological Polar Surface Area38.3
Heavy Atom Count19
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-cyclohexyl-N-(3-methoxyphenyl)propanamide
Canonical SMILES: COC1=CC=CC(=C1)NC(=O)CCC2CCCCC2
InChI: InChI=1/C16H23NO2/c1-19-15-9-5-8-14(12-15)17-16(18)11-10-13-6-3-2-4-7-
13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,17,18)/f/h17H

 
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