3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide

C13H21NO — CID 78970322

IUPAC3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CC)C(=O)CCC1CCCC1
InChIInChI=1S/C13H21NO/c1-3-11-14(4-2)13(15)10-9-12-7-5-6-8-12/h1,12H,4-11H2,2H3
InChIKeyQYJBTQPUNNPCSZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds5

About 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide

3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide (PubChem CID 78970322) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
PubChem CID78970322
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide
SMILESC#CCN(CC)C(=O)CCC1CCCC1
InChIInChI=1S/C13H21NO/c1-3-11-14(4-2)13(15)10-9-12-7-5-6-8-12/h1,12H,4-11H2,2H3
InChIKeyQYJBTQPUNNPCSZ-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-3-cyclohexyl-N-prop-2-ynylpropanamide
CID 114208844
3-cyclopentyl-N-ethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78858621
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
3-cyclopentyl-N-[2-(diethylamino)-2-oxoethyl]-N-methylpropanamide
CID 86908098
3-cyclohexyl-N-ethyl-N-(piperidin-4-ylmethyl)propanamide
CID 79720313
N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
CID 61224500
3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
3-ethoxy-N-ethyl-N-prop-2-ynylpropanamide
CID 78925629
3-cyclopentyl-N,N-diheptylpropanamide
CID 532988
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-ethylpropanamide
CID 43458719
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide?
The IUPAC name of 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide (CID 78970322) is 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide is C#CCN(CC)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide?
The InChIKey is QYJBTQPUNNPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-11-14(4-2)13(15)10-9-12-7-5-6-8-12/h1,12H,4-11H2,2H3.
What are the key properties of 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide?
3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide has a molecular weight of 207.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-ethyl-N-prop-2-ynylpropanamide is sourced from PubChem (CID 78970322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).