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Oprea1_413700,STK222776,ZINC00317685, N-(2-ethoxyphenyl)-2-(4-ethylphe

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摘 要:Oprea1_413700,STK222776,ZINC00317685, N-(2-ethoxyphenyl)-2-(4-ethylphenoxy)acetamide,Canonical SMILES: CCC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2OCC,InChI: InChI=1/C18H21NO3/c1-3-14-9-11-15(12-10-14)22-13-18(20)19-16-7-5-6-8-17,(16)21-4-2/h5-12H,3-4,13H2,1-2
[Synonyms]
Oprea1_413700
STK222776
ZINC00317685

[Structure]
Oprea1_413700,STK222776,ZINC00317685, N-(2-ethoxyphenyl)-2-(4-ethylphe

[ Properties Computed from Structure]
Molecular Weight299.36424 [g/mol]
Molecular FormulaC18H21NO3
XLogP3.9
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count2
Exact Mass299.152144
MonoIsotopic Mass299.152144
Topological Polar Surface Area47.6
Heavy Atom Count22
Formal Charge0
Complexity326
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-(2-ethoxyphenyl)-2-(4-ethylphenoxy)acetamide
Canonical SMILES: CCC1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2OCC
InChI: InChI=1/C18H21NO3/c1-3-14-9-11-15(12-10-14)22-13-18(20)19-16-7-5-6-8-17
(16)21-4-2/h5-12H,3-4,13H2,1-2H3,(H,19,20)/f/h19H

 
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