3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide

C14H19NO3 — CID 62367156

IUPAC3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2O)cc1O
InChIInChI=1S/C14H19NO3/c1-9-6-7-10(8-13(9)17)14(18)15-11-4-2-3-5-12(11)16/h6-8,11-12,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyZIUYAXVJWZVXSR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.73
Rot. Bonds2

About 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide

3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide (PubChem CID 62367156) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
PubChem CID62367156
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCC2O)cc1O
InChIInChI=1S/C14H19NO3/c1-9-6-7-10(8-13(9)17)14(18)15-11-4-2-3-5-12(11)16/h6-8,11-12,16-17H,2-5H2,1H3,(H,15,18)
InChIKeyZIUYAXVJWZVXSR-UHFFFAOYSA-N
XLogP1.73
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylbenzamide
CID 104956646
4-amino-3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 107075912
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
CID 62962345
N-[(1R,2R)-2-[(3,4-dihydroxybenzoyl)amino]cyclohexyl]-3,4-dihydroxybenzamide
CID 10091534
3-hydroxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methylbenzamide
CID 76978373
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpyridine-4-carboxamide
CID 106753486
N-(4-aminocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 43653129
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 104927094
3-hydroxy-N-(2-hydroxycycloheptyl)benzamide
CID 113394806
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
N-cyclopentyloxy-3-hydroxy-4-methylbenzamide
CID 83235676

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide (CID 62367156) is 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCC2O)cc1O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide?
The InChIKey is ZIUYAXVJWZVXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-6-7-10(8-13(9)17)14(18)15-11-4-2-3-5-12(11)16/h6-8,11-12,16-17H,2-5H2,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide?
3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxycyclohexyl)-4-methylbenzamide is sourced from PubChem (CID 62367156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).