2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

C12H17NO4 — CID 113368382

IUPAC2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO4/c1-12(2,5-6-14)13-11(17)9-4-3-8(15)7-10(9)16/h3-4,7,14-16H,5-6H2,1-2H3,(H,13,17)
InChIKeyVYPGSVAEENDXLT-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.99
Rot. Bonds4

About 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide

2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 113368382) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID113368382
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCC(C)(CCO)NC(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H17NO4/c1-12(2,5-6-14)13-11(17)9-4-3-8(15)7-10(9)16/h3-4,7,14-16H,5-6H2,1-2H3,(H,13,17)
InChIKeyVYPGSVAEENDXLT-UHFFFAOYSA-N
XLogP0.99
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-hydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 102739297
N-(4-hydroxy-2-methylbutan-2-yl)-2,4-dimethylbenzamide
CID 115869801
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
2,4-dihydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110545
2-chloro-N-(4-chloro-2-methylbutan-2-yl)-5-hydroxybenzamide
CID 106503218
4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 62041969
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
N-(3-bromo-2,2-dimethylpropyl)-2,4-dihydroxybenzamide
CID 107726081
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
CID 177151717
4-tert-butyl-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870121
2-chloro-4,5-difluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 115870194

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide (CID 113368382) is 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is CC(C)(CCO)NC(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is VYPGSVAEENDXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,5-6-14)13-11(17)9-4-3-8(15)7-10(9)16/h3-4,7,14-16H,5-6H2,1-2H3,(H,13,17).
What are the key properties of 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide?
2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 239.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(4-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 113368382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).