3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide

C15H16N2O3 — CID 110486424

IUPAC3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1N
InChIInChI=1S/C15H16N2O3/c1-9-3-5-13(18)12(7-9)17-15(19)10-4-6-14(20-2)11(16)8-10/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyAFBQJDBMRYUZSE-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds3

About 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide

3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide (PubChem CID 110486424) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
PubChem CID110486424
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccc2O)cc1N
InChIInChI=1S/C15H16N2O3/c1-9-3-5-13(18)12(7-9)17-15(19)10-4-6-14(20-2)11(16)8-10/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyAFBQJDBMRYUZSE-UHFFFAOYSA-N
XLogP2.54
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
CID 91684337
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
3-amino-N-(4-hydroxy-2-methylphenyl)-4-methoxybenzamide
CID 110468878
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
2-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 80504227
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107587350

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide (CID 110486424) is 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C)ccc2O)cc1N.
What is the InChIKey of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide?
The InChIKey is AFBQJDBMRYUZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-3-5-13(18)12(7-9)17-15(19)10-4-6-14(20-2)11(16)8-10/h3-8,18H,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide?
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 110486424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).