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

C15H16N2O3 — CID 107699321

IUPAC3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H16N2O3/c1-9-6-7-10(8-13(9)18)17-15(19)11-4-3-5-12(16)14(11)20-2/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyUQVVJAAVKUFOEC-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.54
Rot. Bonds3

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

3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide (PubChem CID 107699321) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide
PubChem CID107699321
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide
SMILESCOc1c(N)cccc1C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H16N2O3/c1-9-6-7-10(8-13(9)18)17-15(19)11-4-3-5-12(16)14(11)20-2/h3-8,18H,16H2,1-2H3,(H,17,19)
InChIKeyUQVVJAAVKUFOEC-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'}

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Related Compounds

2-amino-N-(3-hydroxy-4-methylphenyl)-3-methylbenzamide
CID 107699257
4-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide
CID 107699351
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699274
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
CID 2993738
5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 107699365
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
N-(4-amino-2,6-dimethylphenyl)-2-methoxy-3-methylbenzamide
CID 50880475
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide?
The IUPAC name of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide (CID 107699321) is 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide is COc1c(N)cccc1C(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide?
The InChIKey is UQVVJAAVKUFOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-6-7-10(8-13(9)18)17-15(19)11-4-3-5-12(16)14(11)20-2/h3-8,18H,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide?
3-amino-N-(3-hydroxy-4-methylphenyl)-2-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-(3-hydroxy-4-methylphenyl)-2-methoxybenzamide is sourced from PubChem (CID 107699321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).