N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide

C18H23NO2 — CID 81111235

IUPACN-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
SMILESCc1ccc(C#CCO)c(C(=O)NCCC2CCCC2)c1
InChIInChI=1S/C18H23NO2/c1-14-8-9-16(7-4-12-20)17(13-14)18(21)19-11-10-15-5-2-3-6-15/h8-9,13,15,20H,2-3,5-6,10-12H2,1H3,(H,19,21)
InChIKeyMMXJYSIRDUMDJZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.65
Rot. Bonds4

About N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide

N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide (PubChem CID 81111235) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
PubChem CID81111235
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
SMILESCc1ccc(C#CCO)c(C(=O)NCCC2CCCC2)c1
InChIInChI=1S/C18H23NO2/c1-14-8-9-16(7-4-12-20)17(13-14)18(21)19-11-10-15-5-2-3-6-15/h8-9,13,15,20H,2-3,5-6,10-12H2,1H3,(H,19,21)
InChIKeyMMXJYSIRDUMDJZ-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.65
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

N-(2-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 81111580
2-amino-N-(2-cyclopentylethyl)-5-methylbenzamide
CID 62073408
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050
N-(2-cyclopentylethyl)-2-hydrazinyl-5-methylbenzamide
CID 62509764
N-(2-cyclopentylethyl)-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66482847
N-(cyclobutylmethyl)-2-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 81111564
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-(thiolan-3-ylmethyl)benzamide
CID 107297862
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
N-(3-ethylpentan-3-yl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide
CID 81111472
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 81112702
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 81112176
N-cyclopentyl-2-(3-hydroxyprop-1-ynyl)-N,5-dimethylbenzamide
CID 81111346

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
The IUPAC name of N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide (CID 81111235) is N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
The canonical SMILES for N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide is Cc1ccc(C#CCO)c(C(=O)NCCC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
The InChIKey is MMXJYSIRDUMDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-8-9-16(7-4-12-20)17(13-14)18(21)19-11-10-15-5-2-3-6-15/h8-9,13,15,20H,2-3,5-6,10-12H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide?
N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide has a molecular weight of 285.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-(3-hydroxyprop-1-ynyl)-5-methylbenzamide is sourced from PubChem (CID 81111235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).