4-hydroxy-N-methoxy-2-methylbenzamide

C9H11NO3 — CID 103865166

IUPAC4-hydroxy-N-methoxy-2-methylbenzamide
SMILESCONC(=O)c1ccc(O)cc1C
InChIInChI=1S/C9H11NO3/c1-6-5-7(11)3-4-8(6)9(12)10-13-2/h3-5,11H,1-2H3,(H,10,12)
InChIKeyRYDHURQSAMYUEC-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.99
Rot. Bonds2

About 4-hydroxy-N-methoxy-2-methylbenzamide

4-hydroxy-N-methoxy-2-methylbenzamide (PubChem CID 103865166) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-hydroxy-N-methoxy-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-methoxy-2-methylbenzamide
PubChem CID103865166
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name4-hydroxy-N-methoxy-2-methylbenzamide
SMILESCONC(=O)c1ccc(O)cc1C
InChIInChI=1S/C9H11NO3/c1-6-5-7(11)3-4-8(6)9(12)10-13-2/h3-5,11H,1-2H3,(H,10,12)
InChIKeyRYDHURQSAMYUEC-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
methyl 2-(4-hydroxy-2-methylphenyl)propanoate
CID 131289275
4-fluoro-N-methoxy-2,5-dimethylbenzamide
CID 23394049
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
4-hydroxy-2-methylbenzoyl chloride
CID 103689413
methyl 4-[(4-hydroxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103865460
N-methoxy-4-methylthiophene-3-carboxamide
CID 79777235

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methoxy-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-methoxy-2-methylbenzamide (CID 103865166) is 4-hydroxy-N-methoxy-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-methoxy-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-methoxy-2-methylbenzamide is CONC(=O)c1ccc(O)cc1C.
What is the InChIKey of 4-hydroxy-N-methoxy-2-methylbenzamide?
The InChIKey is RYDHURQSAMYUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-5-7(11)3-4-8(6)9(12)10-13-2/h3-5,11H,1-2H3,(H,10,12).
What are the key properties of 4-hydroxy-N-methoxy-2-methylbenzamide?
4-hydroxy-N-methoxy-2-methylbenzamide has a molecular weight of 181.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methoxy-2-methylbenzamide is sourced from PubChem (CID 103865166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).