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3-(3,4-diethoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide,Canonica

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摘 要: 3-(3,4-diethoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide,Canonical SMILES: CCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(C)C)OCC,InChI: InChI=1/C22H27NO3/c1-5-25-20-13-11-17(15-21(20)26-6-2)12-14-22(24)23-19-,10-8-7-9-18(19)16(3)4/h7-16H,5-6H2,1-4H3,(H
[Synonyms]

[Structure]
 3-(3,4-diethoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide,Canonica

[ Properties Computed from Structure]
Molecular Weight353.45468 [g/mol]
Molecular FormulaC22H27NO3
XLogP4.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count8
Tautomer Count2
Exact Mass353.199094
MonoIsotopic Mass353.199094
Topological Polar Surface Area47.6
Heavy Atom Count26
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(3,4-diethoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
Canonical SMILES: CCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(C)C)OCC
InChI: InChI=1/C22H27NO3/c1-5-25-20-13-11-17(15-21(20)26-6-2)12-14-22(24)23-19-
10-8-7-9-18(19)16(3)4/h7-16H,5-6H2,1-4H3,(H,23,24)/f/h23H

 
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