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

C16H18N2O3 — CID 24709290

IUPACN-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C)ccc(N)c2C)c1O
InChIInChI=1S/C16H18N2O3/c1-9-7-8-12(17)10(2)14(9)18-16(20)11-5-4-6-13(21-3)15(11)19/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeyMAEBMTHKFGDYNC-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds3

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

N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 24709290) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide
PubChem CID24709290
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C)ccc(N)c2C)c1O
InChIInChI=1S/C16H18N2O3/c1-9-7-8-12(17)10(2)14(9)18-16(20)11-5-4-6-13(21-3)15(11)19/h4-8,19H,17H2,1-3H3,(H,18,20)
InChIKeyMAEBMTHKFGDYNC-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-2,6-dimethylphenyl)-2-hydroxybenzamide
CID 24708392
N-(3-amino-2,6-dimethylphenyl)-2-methoxy-5-methylbenzamide
CID 62503695
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737127
N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide
CID 43550234
2-hydroxy-N-(3-hydroxyphenyl)-3-methoxybenzamide
CID 28739843
N-(4-amino-2-methoxyphenyl)-2-hydroxy-3-methoxybenzamide
CID 24709358
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
N-(3-amino-2,6-dimethylphenyl)-2-bromo-5-methoxybenzamide
CID 24703033
N-(3-amino-4-fluorophenyl)-2-hydroxy-3-methoxybenzamide
CID 24692855
N-(2,5-dichloro-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 115761010
2,3-dihydroxy-N'-(2-hydroxy-3-methoxybenzoyl)benzohydrazide
CID 24773714
2-hydroxy-3-methoxy-N-(thiadiazol-5-yl)benzamide
CID 114912813

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide (CID 24709290) is N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)Nc2c(C)ccc(N)c2C)c1O.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is MAEBMTHKFGDYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-7-8-12(17)10(2)14(9)18-16(20)11-5-4-6-13(21-3)15(11)19/h4-8,19H,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-methoxybenzamide?
N-(3-amino-2,6-dimethylphenyl)-2-hydroxy-3-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)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 24709290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).