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3-(4-butoxy-3-ethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanamide,Ca

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摘 要: 3-(4-butoxy-3-ethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanamide,Canonical SMILES: CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Cl)C)OCC,InChI: InChI=1/C22H28ClNO3/c1-4-6-13-27-20-11-7-17(15-21(20)26-5-2)8-12-22(25),24-19-10-9-18(23)14-16(19)3/h7,9-11
[Synonyms]

[Structure]
 3-(4-butoxy-3-ethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanamide,Ca

[ Properties Computed from Structure]
Molecular Weight389.91562 [g/mol]
Molecular FormulaC22H28ClNO3
XLogP5.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count10
Tautomer Count2
Exact Mass389.175771
MonoIsotopic Mass389.175771
Topological Polar Surface Area47.6
Heavy Atom Count27
Formal Charge0
Complexity434
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-(4-butoxy-3-ethoxyphenyl)-N-(4-chloro-2-methylphenyl)propanamide
Canonical SMILES: CCCCOC1=C(C=C(C=C1)CCC(=O)NC2=C(C=C(C=C2)Cl)C)OCC
InChI: InChI=1/C22H28ClNO3/c1-4-6-13-27-20-11-7-17(15-21(20)26-5-2)8-12-22(25)
24-19-10-9-18(23)14-16(19)3/h7,9-11,14-15H,4-6,8,12-13H2,1-3H3,(H,24,
25)/f/h24H

 
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