4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide

C17H20N2O2 — CID 104782317

IUPAC4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1N
InChIInChI=1S/C17H20N2O2/c1-10-7-11(2)16(12(3)8-10)19-17(20)13-5-6-14(18)15(9-13)21-4/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyLNGMELGBEZOYAY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.45
Rot. Bonds3

About 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide

4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 104782317) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID104782317
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1N
InChIInChI=1S/C17H20N2O2/c1-10-7-11(2)16(12(3)8-10)19-17(20)13-5-6-14(18)15(9-13)21-4/h5-9H,18H2,1-4H3,(H,19,20)
InChIKeyLNGMELGBEZOYAY-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-bromo-2,6-dimethylphenyl)-3-methoxybenzamide
CID 104782360
4-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-methoxybenzamide
CID 104783024
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
CID 116813686
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
4-amino-N-(4-fluoro-2-methylphenyl)-3-methoxybenzamide
CID 104782299
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263
4-amino-3-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 104782866
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737127

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide (CID 104782317) is 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide is COc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is LNGMELGBEZOYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-7-11(2)16(12(3)8-10)19-17(20)13-5-6-14(18)15(9-13)21-4/h5-9H,18H2,1-4H3,(H,19,20).
What are the key properties of 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 104782317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).