2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide

C13H19NO3 — CID 113268457

IUPAC2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
SMILESCCCC(O)CNC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H19NO3/c1-3-5-10(15)8-14-13(17)11-7-4-6-9(2)12(11)16/h4,6-7,10,15-16H,3,5,8H2,1-2H3,(H,14,17)
InChIKeyXEZPRWBTHCSWIV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds5

About 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide

2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide (PubChem CID 113268457) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
PubChem CID113268457
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
SMILESCCCC(O)CNC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H19NO3/c1-3-5-10(15)8-14-13(17)11-7-4-6-9(2)12(11)16/h4,6-7,10,15-16H,3,5,8H2,1-2H3,(H,14,17)
InChIKeyXEZPRWBTHCSWIV-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
2-ethylsulfonyl-N-(2-hydroxypentyl)benzamide
CID 115700538
N-(2-cyclopropylpropyl)-2-hydroxy-3-methylbenzamide
CID 115591208
3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 106107196
2-[acetyl(methyl)amino]-N-(2-hydroxypentyl)benzamide
CID 115700978
N-(2-hydroxypentyl)-2-methyl-3-pyridin-2-ylbenzamide
CID 109399496
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
3-hydroxy-N-(2-hydroxypentyl)pyridine-4-carboxamide
CID 115744615
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
CID 76952616
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide (CID 113268457) is 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide is CCCC(O)CNC(=O)c1cccc(C)c1O.
What is the InChIKey of 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide?
The InChIKey is XEZPRWBTHCSWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-5-10(15)8-14-13(17)11-7-4-6-9(2)12(11)16/h4,6-7,10,15-16H,3,5,8H2,1-2H3,(H,14,17).
What are the key properties of 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide?
2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide is sourced from PubChem (CID 113268457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).