N-ethyl-3-methyl-N-(3-methylphenyl)benzamide

• ChemBase ID: 300354
• Molecular Formular: C17H19NO
• Molecular Mass: 253.33886
• Monoisotopic Mass: 253.14666423
• SMILES: CCN(c1cccc(c1)C)C(=O)c1cccc(c1)C
• Canonical SMILES: CCN(C(=O)c1cccc(c1)C)c1cccc(c1)C
• InChI: InChI=1S/C17H19NO/c1-4-18(16-10-6-8-14(3)12-16)17(19)15-9-5-7-13(2)11-15/h5-12H,4H2,1-3H3
• InChIKey: PVKJASZGPBQRHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-methyl-N-(3-methylphenyl)benzamide
• IUPAC Traditional name: N-ethyl-3-methyl-N-(3-methylphenyl)benzamide
• Synonyms: N-Ethyl-3-methyl-N-(3-methylphenyl)benzamide

Database IDs

• CAS Number: 958996-84-4
• MDL Number: MFCD22683039

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3128476
• LogD (pH = 7.4): 4.3128476
• Log P: 4.3128476
• Molar Refractivity: 79.5384 cm^3
• Polarizability: 30.1815 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%