N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide

C11H14N2O4 — CID 87750237

IUPACN'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
SMILESCc1ccc(O)c(NC(=O)CCC(=O)NO)c1
InChIInChI=1S/C11H14N2O4/c1-7-2-3-9(14)8(6-7)12-10(15)4-5-11(16)13-17/h2-3,6,14,17H,4-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyQKJAKNSBRXYWHT-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.92
Rot. Bonds4

About N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide

N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide (PubChem CID 87750237) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
PubChem CID87750237
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
SMILESCc1ccc(O)c(NC(=O)CCC(=O)NO)c1
InChIInChI=1S/C11H14N2O4/c1-7-2-3-9(14)8(6-7)12-10(15)4-5-11(16)13-17/h2-3,6,14,17H,4-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyQKJAKNSBRXYWHT-UHFFFAOYSA-N
XLogP0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-hydroxy-5-methylanilino)-5-oxopentanoate
CID 7162461
N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide
CID 20778624
methyl 3-(2-hydroxy-5-methylanilino)-3-oxopropanoate
CID 53375446
4-(3,4-dimethylphenyl)-N-(2-hydroxy-5-methylphenyl)-4-oxobutanamide
CID 108807985
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
CID 107273233
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2-hydroxy-5-methylphenyl)butanediamide
CID 59934759
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
4-(5-bromo-2-hydroxyanilino)-4-oxobutanoic acid
CID 23822639
2-(2,6-dimethylphenoxy)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 29249229

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide?
The IUPAC name of N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide (CID 87750237) is N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide.
What is the SMILES notation for N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide?
The canonical SMILES for N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide is Cc1ccc(O)c(NC(=O)CCC(=O)NO)c1.
What is the InChIKey of N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide?
The InChIKey is QKJAKNSBRXYWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-2-3-9(14)8(6-7)12-10(15)4-5-11(16)13-17/h2-3,6,14,17H,4-5H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide?
N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide has a molecular weight of 238.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide is sourced from PubChem (CID 87750237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).