2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide

C12H15NO4 — CID 107722175

IUPAC2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H15NO4/c1-7(2)11(16)6-13-12(17)9-5-8(14)3-4-10(9)15/h3-5,7,14-15H,6H2,1-2H3,(H,13,17)
InChIKeyRIYHJDNJEYOTIJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.05
Rot. Bonds4

About 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide

2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide (PubChem CID 107722175) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
PubChem CID107722175
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
SMILESCC(C)C(=O)CNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C12H15NO4/c1-7(2)11(16)6-13-12(17)9-5-8(14)3-4-10(9)15/h3-5,7,14-15H,6H2,1-2H3,(H,13,17)
InChIKeyRIYHJDNJEYOTIJ-UHFFFAOYSA-N
XLogP1.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 104860755
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
N-(cyanomethyl)-2,5-dihydroxybenzamide
CID 103892329
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107721718
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107722174
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide (CID 107722175) is 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide is CC(C)C(=O)CNC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide?
The InChIKey is RIYHJDNJEYOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-7(2)11(16)6-13-12(17)9-5-8(14)3-4-10(9)15/h3-5,7,14-15H,6H2,1-2H3,(H,13,17).
What are the key properties of 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide?
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide has a molecular weight of 237.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide is sourced from PubChem (CID 107722175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).