4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide

C13H19NO3 — CID 103865756

IUPAC4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)CCCO
InChIInChI=1S/C13H19NO3/c1-9-8-11(16)5-6-12(9)13(17)14-10(2)4-3-7-15/h5-6,8,10,15-16H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyVQSZHLMSMYFDFB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds5

About 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide

4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide (PubChem CID 103865756) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
PubChem CID103865756
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NC(C)CCCO
InChIInChI=1S/C13H19NO3/c1-9-8-11(16)5-6-12(9)13(17)14-10(2)4-3-7-15/h5-6,8,10,15-16H,3-4,7H2,1-2H3,(H,14,17)
InChIKeyVQSZHLMSMYFDFB-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

4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
N-(1-cyanopropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865375
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
2-chloro-N-(5-hydroxypentan-2-yl)-4,5-dimethylbenzamide
CID 110027430
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
N-(1-bromo-4-methylpentan-2-yl)-4-hydroxy-2-methylbenzamide
CID 107673096
N-(1-bromopentan-3-yl)-4-hydroxy-2-methylbenzamide
CID 107673198
N-(5-hydroxypentan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 112548731
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
N-(1-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865389

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide (CID 103865756) is 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NC(C)CCCO.
What is the InChIKey of 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide?
The InChIKey is VQSZHLMSMYFDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-8-11(16)5-6-12(9)13(17)14-10(2)4-3-7-15/h5-6,8,10,15-16H,3-4,7H2,1-2H3,(H,14,17).
What are the key properties of 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide?
4-hydroxy-N-(5-hydroxypentan-2-yl)-2-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 4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 103865756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).