N-(5-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide

• ChemBase ID: 23488
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCOCC
• Canonical SMILES: CCOCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C18H22N2O4/c1-3-23-10-11-24-15-7-4-13(5-8-15)18(21)20-16-12-14(19)6-9-17(16)22-2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
• InChIKey: ZSSJNRFFMPEYOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)benzamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-4-(2-ethoxyethoxy)-benzamide

Database IDs

• MDL Number: MFCD09997486
• PubChem SID: 160986795
• PubChem CID: 28306836

CALCULATED PROPERTIES

• Acid pKa: 12.227257
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.1871185
• LogD (pH = 7.4): 2.2301106
• Log P: 2.2306945
• Molar Refractivity: 95.0104 cm^3
• Polarizability: 35.333828 Å^3
• Polar Surface Area: 82.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false