N-ethyl-4-methoxy-N-phenylbenzamide

• ChemBase ID: 300850
• Molecular Formular: C16H17NO2
• Molecular Mass: 255.31168
• Monoisotopic Mass: 255.12592879
• SMILES: C(C)N(C(=O)c1ccc(cc1)OC)c1ccccc1
• Canonical SMILES: CCN(C(=O)c1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C16H17NO2/c1-3-17(14-7-5-4-6-8-14)16(18)13-9-11-15(19-2)12-10-13/h4-12H,3H2,1-2H3
• InChIKey: IIWRQACQHVYDCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-methoxy-N-phenylbenzamide
• IUPAC Traditional name: N-ethyl-4-methoxy-N-phenylbenzamide
• Synonyms: N-Ethyl-4-methoxy-N-phenylbenzamide

Database IDs

• MDL Number: MFCD01211882

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1283333
• LogD (pH = 7.4): 3.1283333
• Log P: 3.1283333
• Molar Refractivity: 75.9192 cm^3
• Polarizability: 29.142092 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• 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%