N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide

C14H24N2O2 — CID 108941998

IUPACN-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NC1CCCCCC1
InChIInChI=1S/C14H24N2O2/c17-13(11-14(18)16-9-5-6-10-16)15-12-7-3-1-2-4-8-12/h12H,1-11H2,(H,15,17)
InChIKeyMTKQXVWZXMRUHB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds3

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

N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108941998) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108941998
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCC1)NC1CCCCCC1
InChIInChI=1S/C14H24N2O2/c17-13(11-14(18)16-9-5-6-10-16)15-12-7-3-1-2-4-8-12/h12H,1-11H2,(H,15,17)
InChIKeyMTKQXVWZXMRUHB-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cycloheptyl-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-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
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-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108941998) is N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide is O=C(CC(=O)N1CCCC1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is MTKQXVWZXMRUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13(11-14(18)16-9-5-6-10-16)15-12-7-3-1-2-4-8-12/h12H,1-11H2,(H,15,17).
What are the key properties of N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108941998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).