2-amino-N-hydroxy-4,5-dimethoxybenzamide

C9H12N2O4 — CID 11535831

IUPAC2-amino-N-hydroxy-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NO)cc1OC
InChIInChI=1S/C9H12N2O4/c1-14-7-3-5(9(12)11-13)6(10)4-8(7)15-2/h3-4,13H,10H2,1-2H3,(H,11,12)
InChIKeyCKQQZJYIPVAYOO-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-N-hydroxy-4,5-dimethoxybenzamide

2-amino-N-hydroxy-4,5-dimethoxybenzamide (PubChem CID 11535831) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-N-hydroxy-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-hydroxy-4,5-dimethoxybenzamide
PubChem CID11535831
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-amino-N-hydroxy-4,5-dimethoxybenzamide
SMILESCOc1cc(N)c(C(=O)NO)cc1OC
InChIInChI=1S/C9H12N2O4/c1-14-7-3-5(9(12)11-13)6(10)4-8(7)15-2/h3-4,13H,10H2,1-2H3,(H,11,12)
InChIKeyCKQQZJYIPVAYOO-UHFFFAOYSA-N
XLogP0.41
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-5-bromo-4-methoxy-N-methylbenzamide
CID 167259236
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299
2-amino-4,5-dimethoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758258
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
2-amino-4,5-dimethoxy-N-(2-methylphenyl)benzamide
CID 14127147
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
CID 79247786
2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
CID 65104180

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hydroxy-4,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-hydroxy-4,5-dimethoxybenzamide (CID 11535831) is 2-amino-N-hydroxy-4,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-hydroxy-4,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-hydroxy-4,5-dimethoxybenzamide is COc1cc(N)c(C(=O)NO)cc1OC.
What is the InChIKey of 2-amino-N-hydroxy-4,5-dimethoxybenzamide?
The InChIKey is CKQQZJYIPVAYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-14-7-3-5(9(12)11-13)6(10)4-8(7)15-2/h3-4,13H,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-N-hydroxy-4,5-dimethoxybenzamide?
2-amino-N-hydroxy-4,5-dimethoxybenzamide has a molecular weight of 212.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hydroxy-4,5-dimethoxybenzamide is sourced from PubChem (CID 11535831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).