N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide

C16H18N2O3 — CID 79737127

IUPACN-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)ccc(N)c2C)cc1O
InChIInChI=1S/C16H18N2O3/c1-9-4-6-12(17)10(2)15(9)18-16(20)11-5-7-14(21-3)13(19)8-11/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeySKLZLVBRXYPSEQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds3

About N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide

N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79737127) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79737127
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)ccc(N)c2C)cc1O
InChIInChI=1S/C16H18N2O3/c1-9-4-6-12(17)10(2)15(9)18-16(20)11-5-7-14(21-3)13(19)8-11/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeySKLZLVBRXYPSEQ-UHFFFAOYSA-N
XLogP2.85
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.85
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

N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(4-bromo-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737466
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709290
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826
N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
CID 106752359
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
4-amino-3-fluoro-N-(3-hydroxy-4-methoxyphenyl)benzamide
CID 63188030

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide (CID 79737127) is N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2c(C)ccc(N)c2C)cc1O.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is SKLZLVBRXYPSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-4-6-12(17)10(2)15(9)18-16(20)11-5-7-14(21-3)13(19)8-11/h4-8,19H,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide?
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79737127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).