3,4,5-trimethoxy-N-(1-methyl-1H-indol-4-yl)benzamide

• ChemBase ID: 224504
• Molecular Formular: C19H20N2O4
• Molecular Mass: 340.3731
• Monoisotopic Mass: 340.14230713
• SMILES: c12ccn(c1cccc2NC(=O)c1cc(c(c(c1)OC)OC)OC)C
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C19H20N2O4/c1-21-9-8-13-14(6-5-7-15(13)21)20-19(22)12-10-16(23-2)18(25-4)17(11-12)24-3/h5-11H,1-4H3,(H,20,22)
• InChIKey: ZIEUCSCQHNSJKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trimethoxy-N-(1-methyl-1H-indol-4-yl)benzamide
• IUPAC Traditional name: 3,4,5-trimethoxy-N-(1-methylindol-4-yl)benzamide

Database IDs

• PubChem SID: 164280414
• PubChem CID: 52905011

CALCULATED PROPERTIES

• Acid pKa: 11.327839
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9145544
• LogD (pH = 7.4): 2.9145062
• Log P: 2.9145548
• Molar Refractivity: 96.9643 cm^3
• Polarizability: 37.45333 Å^3
• Polar Surface Area: 61.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds