2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid

C19H26N2O4 — CID 154794967

IUPAC2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1cccc(N2CCCC2=O)c1C)C(=O)O
InChIInChI=1S/C19H26N2O4/c1-4-19(5-2,18(24)25)12-16(22)20-14-8-6-9-15(13(14)3)21-11-7-10-17(21)23/h6,8-9H,4-5,7,10-12H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyXNKLVZWHEQVYLD-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.34
Rot. Bonds7

About 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid

2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid (PubChem CID 154794967) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid
PubChem CID154794967
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1cccc(N2CCCC2=O)c1C)C(=O)O
InChIInChI=1S/C19H26N2O4/c1-4-19(5-2,18(24)25)12-16(22)20-14-8-6-9-15(13(14)3)21-11-7-10-17(21)23/h6,8-9H,4-5,7,10-12H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyXNKLVZWHEQVYLD-UHFFFAOYSA-N
XLogP3.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 112722701
N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17489416
(3R)-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 95200625
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
2-(2-methoxyethylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 112722629
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylsulfanylpropanamide
CID 26955397
1-[3-[[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
CID 75405377
1-[3-[[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-2-methylphenyl]pyrrolidin-2-one
CID 95042282
2,2-diethyl-4-[(2-methyl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 79041968

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid?
The IUPAC name of 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid (CID 154794967) is 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid is CCC(CC)(CC(=O)Nc1cccc(N2CCCC2=O)c1C)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid?
The InChIKey is XNKLVZWHEQVYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-19(5-2,18(24)25)12-16(22)20-14-8-6-9-15(13(14)3)21-11-7-10-17(21)23/h6,8-9H,4-5,7,10-12H2,1-3H3,(H,20,22)(H,24,25).
What are the key properties of 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid?
2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid has a molecular weight of 346.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-[2-methyl-3-(2-oxopyrrolidin-1-yl)anilino]-4-oxobutanoic acid is sourced from PubChem (CID 154794967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).