N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide

C18H23NO2 — CID 64741251

IUPACN-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC1CCC(NC(=O)c2ccccc2C#CCO)CC1C
InChIInChI=1S/C18H23NO2/c1-13-9-10-16(12-14(13)2)19-18(21)17-8-4-3-6-15(17)7-5-11-20/h3-4,6,8,13-14,16,20H,9-12H2,1-2H3,(H,19,21)
InChIKeyLWFVDIJFHHBVMY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.58
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide

N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 64741251) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID64741251
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC1CCC(NC(=O)c2ccccc2C#CCO)CC1C
InChIInChI=1S/C18H23NO2/c1-13-9-10-16(12-14(13)2)19-18(21)17-8-4-3-6-15(17)7-5-11-20/h3-4,6,8,13-14,16,20H,9-12H2,1-2H3,(H,19,21)
InChIKeyLWFVDIJFHHBVMY-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-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-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279115
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
CID 60816526
N-(2-ethylcyclopropyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114109304
N-(3,4-dimethylcyclohexyl)-2-sulfanylbenzamide
CID 107031002
N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
N-(3,4-dimethylcyclohexyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 64741832
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 55171481
2-(3-aminoprop-1-ynyl)-N-(2-methylcyclohexyl)benzamide
CID 60820990
2-[2-[(3,4-dimethylcyclohexyl)amino]-2-oxoethyl]benzoic acid
CID 104601603
N-[2-(carbamoylamino)ethyl]-2-(3-hydroxyprop-1-ynyl)benzamide
CID 83115719

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 64741251) is N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide is CC1CCC(NC(=O)c2ccccc2C#CCO)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is LWFVDIJFHHBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-9-10-16(12-14(13)2)19-18(21)17-8-4-3-6-15(17)7-5-11-20/h3-4,6,8,13-14,16,20H,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 64741251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).