4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide

C16H18N2O2 — CID 68975139

IUPAC4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N)c(C)c2C)c1
InChIInChI=1S/C16H18N2O2/c1-10-11(2)15(17)8-7-14(10)16(19)18-12-5-4-6-13(9-12)20-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyUEYQCSQMEIMZNP-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.15
Rot. Bonds3

About 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide

4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide (PubChem CID 68975139) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
PubChem CID68975139
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
SMILESCOc1cccc(NC(=O)c2ccc(N)c(C)c2C)c1
InChIInChI=1S/C16H18N2O2/c1-10-11(2)15(17)8-7-14(10)16(19)18-12-5-4-6-13(9-12)20-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyUEYQCSQMEIMZNP-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.15
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

2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137
2-chloro-N-(3-methoxyphenyl)-4-methylbenzamide
CID 886020
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
3-amino-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 61090375
5-amino-2,3-dichloro-N-(3-methoxyphenyl)benzamide
CID 107183164
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide?
The IUPAC name of 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide (CID 68975139) is 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide.
What is the SMILES notation for 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide?
The canonical SMILES for 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide is COc1cccc(NC(=O)c2ccc(N)c(C)c2C)c1.
What is the InChIKey of 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide?
The InChIKey is UEYQCSQMEIMZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-11(2)15(17)8-7-14(10)16(19)18-12-5-4-6-13(9-12)20-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide?
4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide is sourced from PubChem (CID 68975139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).