3-amino-N-(3-ethylphenyl)-4-methylbenzamide

C16H18N2O — CID 16793362

IUPAC3-amino-N-(3-ethylphenyl)-4-methylbenzamide
SMILESCCc1cccc(NC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-3-12-5-4-6-14(9-12)18-16(19)13-8-7-11(2)15(17)10-13/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyKNXQBHHZNJOYLF-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.39
Rot. Bonds3

About 3-amino-N-(3-ethylphenyl)-4-methylbenzamide

3-amino-N-(3-ethylphenyl)-4-methylbenzamide (PubChem CID 16793362) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-N-(3-ethylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-ethylphenyl)-4-methylbenzamide
PubChem CID16793362
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-(3-ethylphenyl)-4-methylbenzamide
SMILESCCc1cccc(NC(=O)c2ccc(C)c(N)c2)c1
InChIInChI=1S/C16H18N2O/c1-3-12-5-4-6-14(9-12)18-16(19)13-8-7-11(2)15(17)10-13/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKeyKNXQBHHZNJOYLF-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

3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-(3-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 844839
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-(3-ethylphenyl)-3-iodobenzamide
CID 2591482
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-amino-N-[4-(diethylamino)phenyl]-4-methylbenzamide
CID 28723656
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057
N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethylphenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(3-ethylphenyl)-4-methylbenzamide (CID 16793362) is 3-amino-N-(3-ethylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-ethylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-ethylphenyl)-4-methylbenzamide is CCc1cccc(NC(=O)c2ccc(C)c(N)c2)c1.
What is the InChIKey of 3-amino-N-(3-ethylphenyl)-4-methylbenzamide?
The InChIKey is KNXQBHHZNJOYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-5-4-6-14(9-12)18-16(19)13-8-7-11(2)15(17)10-13/h4-10H,3,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(3-ethylphenyl)-4-methylbenzamide?
3-amino-N-(3-ethylphenyl)-4-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 3-amino-N-(3-ethylphenyl)-4-methylbenzamide is sourced from PubChem (CID 16793362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).