3-amino-N-(4-methoxyphenyl)-2-methylbenzamide

C15H16N2O2 — CID 16787137

IUPAC3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(N)c2C)cc1
InChIInChI=1S/C15H16N2O2/c1-10-13(4-3-5-14(10)16)15(18)17-11-6-8-12(19-2)9-7-11/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyNEPUEYJADAQKHO-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.84
Rot. Bonds3

About 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide

3-amino-N-(4-methoxyphenyl)-2-methylbenzamide (PubChem CID 16787137) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
PubChem CID16787137
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(N)c2C)cc1
InChIInChI=1S/C15H16N2O2/c1-10-13(4-3-5-14(10)16)15(18)17-11-6-8-12(19-2)9-7-11/h3-9H,16H2,1-2H3,(H,17,18)
InChIKeyNEPUEYJADAQKHO-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.84
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

3-amino-N-[4-(diethylamino)phenyl]-2-methylbenzamide
CID 28723308
4-amino-N-(3-methoxyphenyl)-2,3-dimethylbenzamide
CID 68975139
2,3-dichloro-N-(4-methoxyphenyl)benzamide
CID 881810
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
2-(3-amino-2-methylphenoxy)-N-(4-methoxyphenyl)acetamide
CID 43437876
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
[2-fluoro-3-[(4-methoxyphenyl)carbamoyl]phenyl]boronic acid
CID 99738152
3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62902054

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide (CID 16787137) is 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide is COc1ccc(NC(=O)c2cccc(N)c2C)cc1.
What is the InChIKey of 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide?
The InChIKey is NEPUEYJADAQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-13(4-3-5-14(10)16)15(18)17-11-6-8-12(19-2)9-7-11/h3-9H,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide?
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxyphenyl)-2-methylbenzamide is sourced from PubChem (CID 16787137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).