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

C16H19NO2 — CID 64687881

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
SMILESCC1(NC(=O)c2cccc(C#CCO)c2)CCCC1
InChIInChI=1S/C16H19NO2/c1-16(9-2-3-10-16)17-15(19)14-8-4-6-13(12-14)7-5-11-18/h4,6,8,12,18H,2-3,9-11H2,1H3,(H,17,19)
InChIKeyOJZZLZKDJSTISW-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.09
Rot. Bonds2

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

3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide (PubChem CID 64687881) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
PubChem CID64687881
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
SMILESCC1(NC(=O)c2cccc(C#CCO)c2)CCCC1
InChIInChI=1S/C16H19NO2/c1-16(9-2-3-10-16)17-15(19)14-8-4-6-13(12-14)7-5-11-18/h4,6,8,12,18H,2-3,9-11H2,1H3,(H,17,19)
InChIKeyOJZZLZKDJSTISW-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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-(1-methylcyclobutyl)benzamide
CID 113485892
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64686483
N-(3-ethylpentan-3-yl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 65042615
3-(3-hydroxyprop-1-ynyl)-5-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485875
5-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclohexyl)thiophene-3-carboxamide
CID 79696223
3-(3-hydroxyprop-1-ynyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104764817
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 106279785
N-[2-[cyclopropyl(methyl)amino]ethyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 62978206
2-[[3-(3-hydroxyprop-1-ynyl)benzoyl]amino]ethyl carbamate
CID 83203353
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
CID 65310344
N-(3-ethoxypropyl)-3-(3-hydroxyprop-1-ynyl)benzamide
CID 60816695

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide (CID 64687881) is 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide is CC1(NC(=O)c2cccc(C#CCO)c2)CCCC1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
The InChIKey is OJZZLZKDJSTISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(9-2-3-10-16)17-15(19)14-8-4-6-13(12-14)7-5-11-18/h4,6,8,12,18H,2-3,9-11H2,1H3,(H,17,19).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide?
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide has a molecular weight of 257.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide is sourced from PubChem (CID 64687881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).