N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide

C18H23NO2 — CID 64920882

IUPACN-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCC1CCC(NC(=O)c2ccccc2C#CCCO)C1C
InChIInChI=1S/C18H23NO2/c1-13-10-11-17(14(13)2)19-18(21)16-9-4-3-7-15(16)8-5-6-12-20/h3-4,7,9,13-14,17,20H,6,10-12H2,1-2H3,(H,19,21)
InChIKeySGQMJBPDMLUXHF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.58
Rot. Bonds3

About N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide

N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 64920882) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID64920882
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCC1CCC(NC(=O)c2ccccc2C#CCCO)C1C
InChIInChI=1S/C18H23NO2/c1-13-10-11-17(14(13)2)19-18(21)16-9-4-3-7-15(16)8-5-6-12-20/h3-4,7,9,13-14,17,20H,6,10-12H2,1-2H3,(H,19,21)
InChIKeySGQMJBPDMLUXHF-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide 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

2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 64921078
2-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
N-(2,3-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 64921472
N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 54921713
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 64741251
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)benzamide
CID 64923029
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide (CID 64920882) is N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide is CC1CCC(NC(=O)c2ccccc2C#CCCO)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is SGQMJBPDMLUXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-10-11-17(14(13)2)19-18(21)16-9-4-3-7-15(16)8-5-6-12-20/h3-4,7,9,13-14,17,20H,6,10-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide?
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 64920882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).