3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide

C18H23NO2 — CID 60803312

IUPAC3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCC2CCCC2)c(C#CCO)c1
InChIInChI=1S/C18H23NO2/c1-14-8-10-17(16(13-14)7-4-12-20)19-18(21)11-9-15-5-2-3-6-15/h8,10,13,15,20H,2-3,5-6,9,11-12H2,1H3,(H,19,21)
InChIKeyXJENEJQASMMNEK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds4

About 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide

3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide (PubChem CID 60803312) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
PubChem CID60803312
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
SMILESCc1ccc(NC(=O)CCC2CCCC2)c(C#CCO)c1
InChIInChI=1S/C18H23NO2/c1-14-8-10-17(16(13-14)7-4-12-20)19-18(21)11-9-15-5-2-3-6-15/h8,10,13,15,20H,2-3,5-6,9,11-12H2,1H3,(H,19,21)
InChIKeyXJENEJQASMMNEK-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
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-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
N-[2-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-cyclopentylpropanamide
CID 60813037
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
CID 60804524
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-5-methyloxolane-2-carboxamide
CID 81331233
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]cyclopropanecarboxamide
CID 60804593
3-(furan-2-yl)-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60802956
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 79158595

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide (CID 60803312) is 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide is Cc1ccc(NC(=O)CCC2CCCC2)c(C#CCO)c1.
What is the InChIKey of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
The InChIKey is XJENEJQASMMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-8-10-17(16(13-14)7-4-12-20)19-18(21)11-9-15-5-2-3-6-15/h8,10,13,15,20H,2-3,5-6,9,11-12H2,1H3,(H,19,21).
What are the key properties of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide?
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide is sourced from PubChem (CID 60803312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).