2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide

C16H19NO2 — CID 63279115

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1ccccc1C#CCO
InChIInChI=1S/C16H19NO2/c1-12-6-4-10-15(12)17-16(19)14-9-3-2-7-13(14)8-5-11-18/h2-3,7,9,12,15,18H,4,6,10-11H2,1H3,(H,17,19)
InChIKeyUJURXATUGYCRDA-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.95
Rot. Bonds2

About 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide

2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide (PubChem CID 63279115) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
PubChem CID63279115
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
SMILESCC1CCCC1NC(=O)c1ccccc1C#CCO
InChIInChI=1S/C16H19NO2/c1-12-6-4-10-15(12)17-16(19)14-9-3-2-7-13(14)8-5-11-18/h2-3,7,9,12,15,18H,4,6,10-11H2,1H3,(H,17,19)
InChIKeyUJURXATUGYCRDA-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.95
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

2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 81112587
N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114109304
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
3-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)thiophene-2-carboxamide
CID 63797837
N-(2-methylcyclohexyl)-2-(propan-2-ylamino)benzamide
CID 63107606

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide (CID 63279115) is 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide is CC1CCCC1NC(=O)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
The InChIKey is UJURXATUGYCRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-6-4-10-15(12)17-16(19)14-9-3-2-7-13(14)8-5-11-18/h2-3,7,9,12,15,18H,4,6,10-11H2,1H3,(H,17,19).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide?
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide is sourced from PubChem (CID 63279115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).