3-cyclopentyl-N-pent-4-yn-2-ylpropanamide

C13H21NO — CID 115662074

IUPAC3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)CCC1CCCC1
InChIInChI=1S/C13H21NO/c1-3-6-11(2)14-13(15)10-9-12-7-4-5-8-12/h1,11-12H,4-10H2,2H3,(H,14,15)
InChIKeyHXNLLKDMKKXRKT-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.48
Rot. Bonds5

About 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide

3-cyclopentyl-N-pent-4-yn-2-ylpropanamide (PubChem CID 115662074) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
PubChem CID115662074
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-cyclopentyl-N-pent-4-yn-2-ylpropanamide
SMILESC#CCC(C)NC(=O)CCC1CCCC1
InChIInChI=1S/C13H21NO/c1-3-6-11(2)14-13(15)10-9-12-7-4-5-8-12/h1,11-12H,4-10H2,2H3,(H,14,15)
InChIKeyHXNLLKDMKKXRKT-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-cyclopentyl-N-pent-4-yn-2-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

3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
N-pent-4-yn-2-ylcyclopentanecarboxamide
CID 115661776
N-(5-bromopentan-2-yl)-3-cyclopentylpropanamide
CID 114316586
N-(5-chloropentan-2-yl)-3-cyclohexylpropanamide
CID 114305958
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
3-cyclopentyl-N-prop-2-ynylpropanamide
CID 60646217
4-amino-N-(4-cyclohexylbutan-2-yl)pentanamide
CID 120562906
N-(1-cyano-2-methylpropyl)-3-cyclopentylpropanamide
CID 63930209
N-pent-4-yn-2-ylpropanamide
CID 115661827
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
N-(1-chloro-4-methylpentan-3-yl)-3-cyclohexylpropanamide
CID 106354559

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide (CID 115662074) is 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide is C#CCC(C)NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide?
The InChIKey is HXNLLKDMKKXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-6-11(2)14-13(15)10-9-12-7-4-5-8-12/h1,11-12H,4-10H2,2H3,(H,14,15).
What are the key properties of 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide?
3-cyclopentyl-N-pent-4-yn-2-ylpropanamide has a molecular weight of 207.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-pent-4-yn-2-ylpropanamide is sourced from PubChem (CID 115662074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).