2-amino-N-(4-ethylphenyl)-6-methylbenzamide

C16H18N2O — CID 16788782

IUPAC2-amino-N-(4-ethylphenyl)-6-methylbenzamide
SMILESCCc1ccc(NC(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)18-16(19)15-11(2)5-4-6-14(15)17/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyBBAQAYUVLYQHTD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.39
Rot. Bonds3

About 2-amino-N-(4-ethylphenyl)-6-methylbenzamide

2-amino-N-(4-ethylphenyl)-6-methylbenzamide (PubChem CID 16788782) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-N-(4-ethylphenyl)-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-ethylphenyl)-6-methylbenzamide
PubChem CID16788782
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-(4-ethylphenyl)-6-methylbenzamide
SMILESCCc1ccc(NC(=O)c2c(C)cccc2N)cc1
InChIInChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)18-16(19)15-11(2)5-4-6-14(15)17/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyBBAQAYUVLYQHTD-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
CID 62301838
2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 61117390
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451
2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
CID 114836825

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethylphenyl)-6-methylbenzamide?
The IUPAC name of 2-amino-N-(4-ethylphenyl)-6-methylbenzamide (CID 16788782) is 2-amino-N-(4-ethylphenyl)-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-ethylphenyl)-6-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-ethylphenyl)-6-methylbenzamide is CCc1ccc(NC(=O)c2c(C)cccc2N)cc1.
What is the InChIKey of 2-amino-N-(4-ethylphenyl)-6-methylbenzamide?
The InChIKey is BBAQAYUVLYQHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-7-9-13(10-8-12)18-16(19)15-11(2)5-4-6-14(15)17/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(4-ethylphenyl)-6-methylbenzamide?
2-amino-N-(4-ethylphenyl)-6-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethylphenyl)-6-methylbenzamide is sourced from PubChem (CID 16788782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).