N-(4-carbamoylphenyl)-3,4,5-trimethoxybenzamide

• ChemBase ID: 193152
• Molecular Formular: C17H18N2O5
• Molecular Mass: 330.33522
• Monoisotopic Mass: 330.12157169
• SMILES: C(=O)(c1cc(c(c(c1)OC)OC)OC)Nc1ccc(C(=O)N)cc1
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C17H18N2O5/c1-22-13-8-11(9-14(23-2)15(13)24-3)17(21)19-12-6-4-10(5-7-12)16(18)20/h4-9H,1-3H3,(H2,18,20)(H,19,21)
• InChIKey: QANGDKBNQAXTOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-carbamoylphenyl)-3,4,5-trimethoxybenzamide
• IUPAC Traditional name: N-(4-carbamoylphenyl)-3,4,5-trimethoxybenzamide

Database IDs

• PubChem SID: 164249062
• PubChem CID: 906440

CALCULATED PROPERTIES

• Acid pKa: 11.359202
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.4427564
• LogD (pH = 7.4): 1.4427118
• Log P: 1.4427571
• Molar Refractivity: 90.0595 cm^3
• Polarizability: 33.369007 Å^3
• Polar Surface Area: 99.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds