N-(2,5-diethoxyphenyl)benzamide

• ChemBase ID: 109617
• Molecular Formular: C17H19NO3
• Molecular Mass: 285.33766
• Monoisotopic Mass: 285.13649347
• SMILES: CCOc1ccc(OCC)c(NC(=O)c2ccccc2)c1
• Canonical SMILES: CCOc1ccc(cc1NC(=O)c1ccccc1)OCC
• InChI: InChI=1S/C17H19NO3/c1-3-20-14-10-11-16(21-4-2)15(12-14)18-17(19)13-8-6-5-7-9-13/h5-12H,3-4H2,1-2H3,(H,18,19)
• InChIKey: OEZDYMAFWLGKFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-diethoxyphenyl)benzamide
• IUPAC Traditional name: N-(2,5-diethoxyphenyl)benzamide
• Synonyms: N-BENZOYL-2,5-DIETHOXYANILINE; 2',5'-Diethoxybenzanilide; 2',5'-二乙氧基苯酰替苯胺

Database IDs

• CAS Number: 92-22-8
• EC Number: 202-137-3
• MDL Number: MFCD00026798
• PubChem SID: 162095235
• PubChem CID: 66700

CALCULATED PROPERTIES

• Acid pKa: 13.489469
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.463404
• LogD (pH = 7.4): 3.4634037
• Log P: 3.463404
• Molar Refractivity: 84.0151 cm^3
• Polarizability: 31.652666 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87-89°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05211866

MP Biomedicals Rare Chemical collection