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N-[3-(phenylmethoxy)pyridin-2-yl]cyclohexanecarboxamide,Canonical SMI

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摘 要: N-[3-(phenylmethoxy)pyridin-2-yl]cyclohexanecarboxamide,Canonical SMILES: C1CCC(CC1)C(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3,InChI: InChI=1/C19H22N2O2/c22-19(16-10-5-2-6-11-16)21-18-17(12-7-13-20-18)23-,14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14
[Synonyms]

[Structure]
 N-[3-(phenylmethoxy)pyridin-2-yl]cyclohexanecarboxamide,Canonical SMI

[ Properties Computed from Structure]
Molecular Weight310.39018 [g/mol]
Molecular FormulaC19H22N2O2
XLogP4.3
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count3
Exact Mass310.168128
MonoIsotopic Mass310.168128
Topological Polar Surface Area51.2
Heavy Atom Count23
Formal Charge0
Complexity362
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: N-[3-(phenylmethoxy)pyridin-2-yl]cyclohexanecarboxamide
Canonical SMILES: C1CCC(CC1)C(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3
InChI: InChI=1/C19H22N2O2/c22-19(16-10-5-2-6-11-16)21-18-17(12-7-13-20-18)23-
14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H,20,21,
22)/f/h21H

 
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