4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide

C13H19NO3 — CID 103867092

IUPAC4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC(C)CCO
InChIInChI=1S/C13H19NO3/c1-9(5-6-15)8-14-13(17)12-4-3-11(16)7-10(12)2/h3-4,7,9,15-16H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyHQJFLDNQYVDKST-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.45
Rot. Bonds5

About 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide

4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide (PubChem CID 103867092) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
PubChem CID103867092
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC(C)CCO
InChIInChI=1S/C13H19NO3/c1-9(5-6-15)8-14-13(17)12-4-3-11(16)7-10(12)2/h3-4,7,9,15-16H,5-6,8H2,1-2H3,(H,14,17)
InChIKeyHQJFLDNQYVDKST-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103941390
2-chloro-5-hydroxy-N-(4-hydroxy-2-methylbutyl)benzamide
CID 106502483
4-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107091867
4-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 103865756
4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 104860755
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
CID 103865605
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
N-(4-amino-2-methylbutyl)-2,4-dihydroxybenzamide
CID 107726381
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
4-bromo-N-(4-bromo-2-methylbutyl)-2-methylbenzamide
CID 114316945
2-amino-4-bromo-N-(4-hydroxy-2-methylbutyl)benzamide
CID 79723461
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide (CID 103867092) is 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCC(C)CCO.
What is the InChIKey of 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
The InChIKey is HQJFLDNQYVDKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(5-6-15)8-14-13(17)12-4-3-11(16)7-10(12)2/h3-4,7,9,15-16H,5-6,8H2,1-2H3,(H,14,17).
What are the key properties of 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide?
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide is sourced from PubChem (CID 103867092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).