3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide

C18H24N2O — CID 64915053

IUPAC3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
SMILESCCC1CCC(NC(=O)c2cccc(C#CCN)c2)C1C
InChIInChI=1S/C18H24N2O/c1-3-15-9-10-17(13(15)2)20-18(21)16-8-4-6-14(12-16)7-5-11-19/h4,6,8,12-13,15,17H,3,9-11,19H2,1-2H3,(H,20,21)
InChIKeyWASOGBPMYYHNIJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.55
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide

3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide (PubChem CID 64915053) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
PubChem CID64915053
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
SMILESCCC1CCC(NC(=O)c2cccc(C#CCN)c2)C1C
InChIInChI=1S/C18H24N2O/c1-3-15-9-10-17(13(15)2)20-18(21)16-8-4-6-14(12-16)7-5-11-19/h4,6,8,12-13,15,17H,3,9-11,19H2,1-2H3,(H,20,21)
InChIKeyWASOGBPMYYHNIJ-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 64921078
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475
N-(3-ethyl-2-methylcyclopentyl)-4-hydroxy-3-methylbenzamide
CID 107676725
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 64914030
3-bromo-N-(3-ethyl-2-methylcyclopentyl)-4-methoxybenzamide
CID 64923164
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
N-(3-ethyl-2-methylcyclopentyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999041
N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615105
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide (CID 64915053) is 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide is CCC1CCC(NC(=O)c2cccc(C#CCN)c2)C1C.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The InChIKey is WASOGBPMYYHNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-15-9-10-17(13(15)2)20-18(21)16-8-4-6-14(12-16)7-5-11-19/h4,6,8,12-13,15,17H,3,9-11,19H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide?
3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide has a molecular weight of 284.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide is sourced from PubChem (CID 64915053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).