N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C14H18N2O2 — CID 42656575

IUPACN-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2ccccc2C)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-15-13(17)11-8-9-16(14(11)18)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyOAKITMIEGVVPMZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.48
Rot. Bonds3

About N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide

N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 42656575) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID42656575
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(c2ccccc2C)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-15-13(17)11-8-9-16(14(11)18)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyOAKITMIEGVVPMZ-UHFFFAOYSA-N
XLogP1.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(2-methylphenyl)-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

(3S)-1-(2-methylphenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 93331482
N-benzyl-1-(2,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048894
(3R)-N-benzyl-1-(2-benzylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330805
(3R)-1-(4-ethylphenyl)-N-[(2-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 95056101
(3R)-1-(5-bromo-2-methylphenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 92991416
1-(2-methoxyphenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 42853763
N-butan-2-yl-1-(5-chloro-2-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46744134
(3S)-1-(2,3-dimethylphenyl)-N-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330491
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
1-(4-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797771
1-(2-bromophenyl)-2-oxo-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 112834285
(3R)-1-(2-benzylphenyl)-N-tert-butyl-2-oxopyrrolidine-3-carboxamide
CID 92991111

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 42656575) is N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide is CCNC(=O)C1CCN(c2ccccc2C)C1=O.
What is the InChIKey of N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is OAKITMIEGVVPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15-13(17)11-8-9-16(14(11)18)12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42656575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).