N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide

C17H28N2O2 — CID 5090456

IUPACN,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H28N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h13-15H,1-12H2,(H,18,21)
InChIKeyAHJYYIXNAKIPBF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.62
Rot. Bonds3

About N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide

N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 5090456) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID5090456
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C17H28N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h13-15H,1-12H2,(H,18,21)
InChIKeyAHJYYIXNAKIPBF-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,1-dicyclohexyl-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,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 5090456) is N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AHJYYIXNAKIPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h13-15H,1-12H2,(H,18,21).
What are the key properties of N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide?
N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dicyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5090456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).