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

C20H28N2O2 — CID 24819950

IUPAC1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)C1C
InChIInChI=1S/C20H28N2O2/c1-14-7-6-10-18(15(14)2)21-20(24)17-11-19(23)22(13-17)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13H2,1-2H3,(H,21,24)
InChIKeyAZRWZNKJLDSBFB-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.98
Rot. Bonds4

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

1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 24819950) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID24819950
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1CCCC(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)C1C
InChIInChI=1S/C20H28N2O2/c1-14-7-6-10-18(15(14)2)21-20(24)17-11-19(23)22(13-17)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13H2,1-2H3,(H,21,24)
InChIKeyAZRWZNKJLDSBFB-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-(2,3-dimethylcyclohexyl)-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 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide (CID 24819950) is 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is CC1CCCC(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)C1C.
What is the InChIKey of 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AZRWZNKJLDSBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-7-6-10-18(15(14)2)21-20(24)17-11-19(23)22(13-17)12-16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13H2,1-2H3,(H,21,24).
What are the key properties of 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,3-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24819950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).