(3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C25H31N3O5 — CID 51870658

IUPAC(3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OCC
InChIInChI=1S/C25H31N3O5/c1-4-32-21-12-11-20(14-22(21)33-5-2)26-23(29)17-27(3)25(31)19-13-24(30)28(16-19)15-18-9-7-6-8-10-18/h6-12,14,19H,4-5,13,15-17H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyQGPOJTJSZFZSLU-LJQANCHMSA-N
MW453.54 g/mol
LogP2.93
Rot. Bonds10

About (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 51870658) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID51870658
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name(3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OCC
InChIInChI=1S/C25H31N3O5/c1-4-32-21-12-11-20(14-22(21)33-5-2)26-23(29)17-27(3)25(31)19-13-24(30)28(16-19)15-18-9-7-6-8-10-18/h6-12,14,19H,4-5,13,15-17H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyQGPOJTJSZFZSLU-LJQANCHMSA-N
XLogP2.93
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

4-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 25163200
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
[2-(4-ethoxyanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 7729169
N-methyl-5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42998707
(3R)-1-[(3,4-diethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 9147255
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
[2-(4-methylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 3404466
(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146761
(3R,7aR)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 32902455
(3S)-1-benzyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 34904790
(3R)-1-[(4-butoxy-3-ethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9147348

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 51870658) is (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)CN(C)C(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OCC.
What is the InChIKey of (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QGPOJTJSZFZSLU-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-4-32-21-12-11-20(14-22(21)33-5-2)26-23(29)17-27(3)25(31)19-13-24(30)28(16-19)15-18-9-7-6-8-10-18/h6-12,14,19H,4-5,13,15-17H2,1-3H3,(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51870658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).