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

C17H21NO2 — CID 60803095

IUPAC3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1ccccc1C#CCO
InChIInChI=1S/C17H21NO2/c19-13-5-9-15-8-3-4-10-16(15)18-17(20)12-11-14-6-1-2-7-14/h3-4,8,10,14,19H,1-2,6-7,11-13H2,(H,18,20)
InChIKeyNFBNFPIJEMIWEW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds4

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

3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide (PubChem CID 60803095) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
PubChem CID60803095
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1ccccc1C#CCO
InChIInChI=1S/C17H21NO2/c19-13-5-9-15-8-3-4-10-16(15)18-17(20)12-11-14-6-1-2-7-14/h3-4,8,10,14,19H,1-2,6-7,11-13H2,(H,18,20)
InChIKeyNFBNFPIJEMIWEW-UHFFFAOYSA-N
XLogP2.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
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)-4-methylphenyl]propanamide
CID 60803312
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803176
N-[2-(3-hydroxyprop-1-ynyl)phenyl]butanamide
CID 60800145
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803097
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60802431
N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60800142
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65160499
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide (CID 60803095) is 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide is O=C(CCC1CCCC1)Nc1ccccc1C#CCO.
What is the InChIKey of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The InChIKey is NFBNFPIJEMIWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-13-5-9-15-8-3-4-10-16(15)18-17(20)12-11-14-6-1-2-7-14/h3-4,8,10,14,19H,1-2,6-7,11-13H2,(H,18,20).
What are the key properties of 3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.94, 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)phenyl]propanamide is sourced from PubChem (CID 60803095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).