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

C20H28N2O2 — CID 4877606

IUPACN-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)c1C
InChIInChI=1S/C20H28N2O2/c1-14-8-7-11-18(15(14)2)22-13-16(12-19(22)23)20(24)21-17-9-5-3-4-6-10-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyFSVBNYKQBLIRMD-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.50
Rot. Bonds3

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

N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4877606) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4877606
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)c1C
InChIInChI=1S/C20H28N2O2/c1-14-8-7-11-18(15(14)2)22-13-16(12-19(22)23)20(24)21-17-9-5-3-4-6-10-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyFSVBNYKQBLIRMD-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cycloheptyl-1-(2,3-dimethylphenyl)-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-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 4877606) is N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NC3CCCCCC3)CC2=O)c1C.
What is the InChIKey of N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FSVBNYKQBLIRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-8-7-11-18(15(14)2)22-13-16(12-19(22)23)20(24)21-17-9-5-3-4-6-10-17/h7-8,11,16-17H,3-6,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4877606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).