2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide

C17H21NO2 — CID 81112587

IUPAC2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
SMILESCc1ccc(C#CCO)c(C(=O)NC2CCCC2C)c1
InChIInChI=1S/C17H21NO2/c1-12-8-9-14(6-4-10-19)15(11-12)17(20)18-16-7-3-5-13(16)2/h8-9,11,13,16,19H,3,5,7,10H2,1-2H3,(H,18,20)
InChIKeyAUYMXISRLVAPPH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.26
Rot. Bonds2

About 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide

2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide (PubChem CID 81112587) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
PubChem CID81112587
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide
SMILESCc1ccc(C#CCO)c(C(=O)NC2CCCC2C)c1
InChIInChI=1S/C17H21NO2/c1-12-8-9-14(6-4-10-19)15(11-12)17(20)18-16-7-3-5-13(16)2/h8-9,11,13,16,19H,3,5,7,10H2,1-2H3,(H,18,20)
InChIKeyAUYMXISRLVAPPH-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.26
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-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(oxan-3-yl)benzamide
CID 81112699
2-fluoro-5-methyl-N-(2-methylcyclopentyl)benzamide
CID 55171474
N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 81111346
N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111235
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
2-bromo-5-methyl-N-(2-methylcycloheptyl)benzamide
CID 81109910
N-(3-ethylpentan-3-yl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111472
2-(3-aminoprop-1-ynyl)-N-(2-bicyclo[2.2.1]heptanyl)-5-methylbenzamide
CID 81112326
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-(3-aminoprop-1-ynyl)-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 81111849

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide (CID 81112587) is 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide is Cc1ccc(C#CCO)c(C(=O)NC2CCCC2C)c1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide?
The InChIKey is AUYMXISRLVAPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-8-9-14(6-4-10-19)15(11-12)17(20)18-16-7-3-5-13(16)2/h8-9,11,13,16,19H,3,5,7,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide?
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(2-methylcyclopentyl)benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.26, 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)-5-methyl-N-(2-methylcyclopentyl)benzamide is sourced from PubChem (CID 81112587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).