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

C17H21NO2 — CID 60802431

IUPAC3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1cccc(C#CCO)c1
InChIInChI=1S/C17H21NO2/c19-12-4-8-15-7-3-9-16(13-15)18-17(20)11-10-14-5-1-2-6-14/h3,7,9,13-14,19H,1-2,5-6,10-12H2,(H,18,20)
InChIKeyJWVOSESXPSPVMR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds4

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

3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide (PubChem CID 60802431) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide
PubChem CID60802431
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide
SMILESO=C(CCC1CCCC1)Nc1cccc(C#CCO)c1
InChIInChI=1S/C17H21NO2/c19-12-4-8-15-7-3-9-16(13-15)18-17(20)11-10-14-5-1-2-6-14/h3,7,9,13-14,19H,1-2,5-6,10-12H2,(H,18,20)
InChIKeyJWVOSESXPSPVMR-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'}

Analyze 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170
N-[3-(3-hydroxyprop-1-ynyl)phenyl]nonanamide
CID 65426940
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 60803095
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2-phenylacetamide
CID 60803624
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]propanamide
CID 60803312
N-[3-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60804224
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
3-cyclopentyl-N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]propanamide
CID 82746748
3-cyclopentyl-N-(3-phenylprop-2-ynyl)propanamide
CID 56807333
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-propan-2-ylurea
CID 60804841

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide (CID 60802431) is 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide is O=C(CCC1CCCC1)Nc1cccc(C#CCO)c1.
What is the InChIKey of 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
The InChIKey is JWVOSESXPSPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-12-4-8-15-7-3-9-16(13-15)18-17(20)11-10-14-5-1-2-6-14/h3,7,9,13-14,19H,1-2,5-6,10-12H2,(H,18,20).
What are the key properties of 3-cyclopentyl-N-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide?
3-cyclopentyl-N-[3-(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-[3-(3-hydroxyprop-1-ynyl)phenyl]propanamide is sourced from PubChem (CID 60802431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).