N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C16H28N2O3 — CID 103860413

IUPACN-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NC2CCCCC2CO)CC1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)8-18-9-13(7-15(18)20)16(21)17-14-6-4-3-5-12(14)10-19/h11-14,19H,3-10H2,1-2H3,(H,17,21)
InChIKeyWELHRWPSYQFDIW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.16
Rot. Bonds5

About N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 103860413) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID103860413
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN1CC(C(=O)NC2CCCCC2CO)CC1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)8-18-9-13(7-15(18)20)16(21)17-14-6-4-3-5-12(14)10-19/h11-14,19H,3-10H2,1-2H3,(H,17,21)
InChIKeyWELHRWPSYQFDIW-UHFFFAOYSA-N
XLogP1.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-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-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 103860413) is N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN1CC(C(=O)NC2CCCCC2CO)CC1=O.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WELHRWPSYQFDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)8-18-9-13(7-15(18)20)16(21)17-14-6-4-3-5-12(14)10-19/h11-14,19H,3-10H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103860413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).