N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide

C13H22N2O2 — CID 108941929

IUPACN-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NC1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-12(14-11-6-2-1-3-7-11)10-13(17)15-8-4-5-9-15/h11H,1-10H2,(H,14,16)
InChIKeyREMJFUIXGFJKHD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.45
Rot. Bonds3

About N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide

N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108941929) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108941929
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NC1CCCCC1
InChIInChI=1S/C13H22N2O2/c16-12(14-11-6-2-1-3-7-11)10-13(17)15-8-4-5-9-15/h11H,1-10H2,(H,14,16)
InChIKeyREMJFUIXGFJKHD-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944377
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclopropyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 43401871
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
2-(azepan-1-yl)-N-cyclohexyl-2-oxoacetamide
CID 108504369
N-cycloheptyl-2-oxo-2-piperidin-1-ylacetamide
CID 2288056
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
[2-(cycloheptylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4857334

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108941929) is N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide is O=C(CC(=O)N1CCCC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is REMJFUIXGFJKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12(14-11-6-2-1-3-7-11)10-13(17)15-8-4-5-9-15/h11H,1-10H2,(H,14,16).
What are the key properties of N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108941929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).