N-(5-amino-2-methoxyphenyl)-3,4,5-trimethoxybenzamide

• ChemBase ID: 22833
• Molecular Formular: C17H20N2O5
• Molecular Mass: 332.3511
• Monoisotopic Mass: 332.13722175
• SMILES: C(=O)(Nc1cc(N)ccc1OC)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C17H20N2O5/c1-21-13-6-5-11(18)9-12(13)19-17(20)10-7-14(22-2)16(24-4)15(8-10)23-3/h5-9H,18H2,1-4H3,(H,19,20)
• InChIKey: VQXAIMDVNTYFAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-3,4,5-trimethoxybenzamide

Database IDs

• MDL Number: MFCD09047563
• PubChem SID: 160986140
• PubChem CID: 16775138

CALCULATED PROPERTIES

• Acid pKa: 11.976914
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.573766
• LogD (pH = 7.4): 1.605093
• Log P: 1.6055197
• Molar Refractivity: 92.1447 cm^3
• Polarizability: 34.182533 Å^3
• Polar Surface Area: 92.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false