2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide

C11H13NO4 — CID 107722174

IUPAC2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H13NO4/c1-6(7(2)13)12-11(16)9-5-8(14)3-4-10(9)15/h3-6,14-15H,1-2H3,(H,12,16)
InChIKeyZHGYWLQYJJQBFI-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.81
Rot. Bonds3

About 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide

2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide (PubChem CID 107722174) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
PubChem CID107722174
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide
SMILESCC(=O)C(C)NC(=O)c1cc(O)ccc1O
InChIInChI=1S/C11H13NO4/c1-6(7(2)13)12-11(16)9-5-8(14)3-4-10(9)15/h3-6,14-15H,1-2H3,(H,12,16)
InChIKeyZHGYWLQYJJQBFI-UHFFFAOYSA-N
XLogP0.81
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.81
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

5-bromo-2-hydroxy-N-(3-oxobutan-2-yl)benzamide
CID 107729642
N-(1-amino-1-sulfanylidenepropan-2-yl)-2,5-dihydroxybenzamide
CID 107722051
N-[1-(diethylamino)-1-oxopropan-2-yl]-2,5-dihydroxybenzamide
CID 107723639
tert-butyl (2S)-2-[(2,5-dihydroxybenzoyl)amino]propanoate
CID 107725397
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793
methyl 3-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 113347091
2-[(2,5-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 23191955
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2,5-dihydroxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 107721874
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175
2,5-dihydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103891645
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide (CID 107722174) is 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide is CC(=O)C(C)NC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide?
The InChIKey is ZHGYWLQYJJQBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-6(7(2)13)12-11(16)9-5-8(14)3-4-10(9)15/h3-6,14-15H,1-2H3,(H,12,16).
What are the key properties of 2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide?
2,5-dihydroxy-N-(3-oxobutan-2-yl)benzamide has a molecular weight of 223.23 g/mol, XLogP of 0.81, 3 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-oxobutan-2-yl)benzamide is sourced from PubChem (CID 107722174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).