N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C20H28N2O2 — CID 4047574

IUPACN-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-15-7-9-16(10-8-15)11-12-22-14-17(13-19(22)23)20(24)21-18-5-3-2-4-6-18/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,24)
InChIKeyBHFLIFWFVZIOGW-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.83
Rot. Bonds5

About N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 4047574) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID4047574
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NC3CCCCC3)CC2=O)cc1
InChIInChI=1S/C20H28N2O2/c1-15-7-9-16(10-8-15)11-12-22-14-17(13-19(22)23)20(24)21-18-5-3-2-4-6-18/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,24)
InChIKeyBHFLIFWFVZIOGW-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-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-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 4047574) is N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NC3CCCCC3)CC2=O)cc1.
What is the InChIKey of N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BHFLIFWFVZIOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-7-9-16(10-8-15)11-12-22-14-17(13-19(22)23)20(24)21-18-5-3-2-4-6-18/h7-10,17-18H,2-6,11-14H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4047574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).