2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide

C18H23NO2 — CID 60816526

IUPAC2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccccc2C#CCCO)CC1
InChIInChI=1S/C18H23NO2/c1-14-9-11-16(12-10-14)19-18(21)17-8-3-2-6-15(17)7-4-5-13-20/h2-3,6,8,14,16,20H,5,9-13H2,1H3,(H,19,21)
InChIKeyMHDPRIJIHWKYQC-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds3

About 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide

2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide (PubChem CID 60816526) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
PubChem CID60816526
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccccc2C#CCCO)CC1
InChIInChI=1S/C18H23NO2/c1-14-9-11-16(12-10-14)19-18(21)17-8-3-2-6-15(17)7-4-5-13-20/h2-3,6,8,14,16,20H,5,9-13H2,1H3,(H,19,21)
InChIKeyMHDPRIJIHWKYQC-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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

N-(2,3-dimethylcyclopentyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 64920882
N-(3,4-dimethylcyclohexyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 64741251
N-(1-cyclopropylethyl)-2-(4-hydroxybut-1-ynyl)benzamide
CID 54921713
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-hydroxybut-1-ynyl)benzamide
CID 62978560
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
5-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79693917
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
3-(4-hydroxybut-1-ynyl)-N-(3-methylcyclopentyl)thiophene-2-carboxamide
CID 114550678
methyl 3-[[2-(4-hydroxybut-1-ynyl)benzoyl]amino]propanoate
CID 61300517
2-(4-hydroxybut-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60815475
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922339

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide (CID 60816526) is 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccccc2C#CCCO)CC1.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide?
The InChIKey is MHDPRIJIHWKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-9-11-16(12-10-14)19-18(21)17-8-3-2-6-15(17)7-4-5-13-20/h2-3,6,8,14,16,20H,5,9-13H2,1H3,(H,19,21).
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide?
2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide has a molecular weight of 285.39 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-ynyl)-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 60816526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).