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Oprea1_812007,ZINC00881460,ASN 03433270,N-[2,5-Diethoxy-4-(3-methyl-bu

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摘 要:Oprea1_812007,ZINC00881460,ASN 03433270,N-[2,5-Diethoxy-4-(3-methyl-butyrylamino)-phenyl]-4-methoxy-benzamide, N-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-4-methoxybenzamide,Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)OC)OCC)NC(=O)CC(C)
[Synonyms]
Oprea1_812007
ZINC00881460
ASN 03433270
N-[2,5-Diethoxy-4-(3-methyl-butyrylamino)-phenyl]-4-methoxy-benzamide

[Structure]
Oprea1_812007,ZINC00881460,ASN 03433270,N-[2,5-Diethoxy-4-(3-methyl-bu

[ Properties Computed from Structure]
Molecular Weight414.4947 [g/mol]
Molecular FormulaC23H30N2O5
XLogP3.7
H-Bond Donor2
H-Bond Acceptor5
Rotatable Bond Count10
Tautomer Count4
Exact Mass414.215472
MonoIsotopic Mass414.215472
Topological Polar Surface Area85.9
Heavy Atom Count30
Formal Charge0
Complexity534
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-[2,5-diethoxy-4-(3-methylbutanoylamino)phenyl]-4-methoxybenzamide
Canonical SMILES: CCOC1=CC(=C(C=C1NC(=O)C2=CC=C(C=C2)OC)OCC)NC(=O)CC(C)C
InChI: InChI=1/C23H30N2O5/c1-6-29-20-14-19(25-23(27)16-8-10-17(28-5)11-9-16)21
(30-7-2)13-18(20)24-22(26)12-15(3)4/h8-11,13-15H,6-7,12H2,1-5H3,(H,24,
26)(H,25,27)/f/h24-25H

 
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