N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

C20H22N2O2 — CID 46048610

IUPACN-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCc3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N2O2/c1-14-10-15(2)12-17(11-14)22-9-8-18(20(22)24)19(23)21-13-16-6-4-3-5-7-16/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,21,23)
InChIKeyWESHENPLBDKCOH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.97
Rot. Bonds4

About N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide

N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048610) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46048610
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)cc(N2CCC(C(=O)NCc3ccccc3)C2=O)c1
InChIInChI=1S/C20H22N2O2/c1-14-10-15(2)12-17(11-14)22-9-8-18(20(22)24)19(23)21-13-16-6-4-3-5-7-16/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,21,23)
InChIKeyWESHENPLBDKCOH-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide 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

1-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46159234
1-(3,5-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46048617
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
(3S)-N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92725760
(3S)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330917
N-(2-amino-2-methylpropyl)-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 119628688
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
N-[2-(dimethylamino)ethyl]-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744155
2-methoxy-5-[[[(3S)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125153572
2-oxo-1-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 20964223
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 46048610) is N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1cc(C)cc(N2CCC(C(=O)NCc3ccccc3)C2=O)c1.
What is the InChIKey of N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WESHENPLBDKCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-10-15(2)12-17(11-14)22-9-8-18(20(22)24)19(23)21-13-16-6-4-3-5-7-16/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).