N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide

C16H18N2O3 — CID 43330049

IUPACN-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cccc2N)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-5-4-6-12(17)15(10)18-16(19)11-7-8-13(20-2)14(9-11)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyFFOOKWRXLVYHBI-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds4

About N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide

N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide (PubChem CID 43330049) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
PubChem CID43330049
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C)cccc2N)cc1OC
InChIInChI=1S/C16H18N2O3/c1-10-5-4-6-12(17)15(10)18-16(19)11-7-8-13(20-2)14(9-11)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyFFOOKWRXLVYHBI-UHFFFAOYSA-N
XLogP2.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-chlorophenyl)-3,4-dimethoxybenzamide
CID 62084435
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 104782317
N-(2-amino-6-methylphenyl)-6-methylpyridine-3-carboxamide
CID 43152306
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113032261
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(2-amino-6-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 43330066
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737127
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide (CID 43330049) is N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2c(C)cccc2N)cc1OC.
What is the InChIKey of N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide?
The InChIKey is FFOOKWRXLVYHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-5-4-6-12(17)15(10)18-16(19)11-7-8-13(20-2)14(9-11)21-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide?
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 43330049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).