2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide

C18H23NO2 — CID 60803544

IUPAC2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
SMILESCc1ccc(C#CCCO)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H23NO2/c1-14-9-10-16(8-4-5-11-20)12-17(14)19-18(21)13-15-6-2-3-7-15/h9-10,12,15,20H,2-3,5-7,11,13H2,1H3,(H,19,21)
InChIKeyUVNKLAXRENBLNT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.25
Rot. Bonds4

About 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide

2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide (PubChem CID 60803544) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
PubChem CID60803544
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide
SMILESCc1ccc(C#CCCO)cc1NC(=O)CC1CCCC1
InChIInChI=1S/C18H23NO2/c1-14-9-10-16(8-4-5-11-20)12-17(14)19-18(21)13-15-6-2-3-7-15/h9-10,12,15,20H,2-3,5-7,11,13H2,1H3,(H,19,21)
InChIKeyUVNKLAXRENBLNT-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'}

Analyze 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide 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-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 62915790
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]pentanamide
CID 60803025
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021843
2-cyclohexyl-N-[2-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803176
2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide
CID 103165231
N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]-5-methylfuran-2-carboxamide
CID 60802341
1-cyclobutyl-3-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]urea
CID 116658735
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2-cyclopropylacetamide
CID 81263564
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide (CID 60803544) is 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide is Cc1ccc(C#CCCO)cc1NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide?
The InChIKey is UVNKLAXRENBLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-9-10-16(8-4-5-11-20)12-17(14)19-18(21)13-15-6-2-3-7-15/h9-10,12,15,20H,2-3,5-7,11,13H2,1H3,(H,19,21).
What are the key properties of 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide?
2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide 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 2-cyclopentyl-N-[5-(4-hydroxybut-1-ynyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 60803544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).