N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O3 — CID 2964345

IUPACN-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-13-6-4-7-14(2)19(13)21-20(24)15-10-18(23)22(12-15)16-8-5-9-17(11-16)25-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,24)
InChIKeyZPDOENHHPQQZPG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2964345) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2964345
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)c1
InChIInChI=1S/C20H22N2O3/c1-13-6-4-7-14(2)19(13)21-20(24)15-10-18(23)22(12-15)16-8-5-9-17(11-16)25-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,24)
InChIKeyZPDOENHHPQQZPG-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2964345) is N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZPDOENHHPQQZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-6-4-7-14(2)19(13)21-20(24)15-10-18(23)22(12-15)16-8-5-9-17(11-16)25-3/h4-9,11,15H,10,12H2,1-3H3,(H,21,24).
What are the key properties of N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2964345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).