4-methoxy-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzamide

• ChemBase ID: 191615
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: [nH]1c2c(c(c1)CCNC(=O)c1ccc(cc1)OC)cccc2C
• Canonical SMILES: COc1ccc(cc1)C(=O)NCCc1c[nH]c2c1cccc2C
• InChI: InChI=1S/C19H20N2O2/c1-13-4-3-5-17-15(12-21-18(13)17)10-11-20-19(22)14-6-8-16(23-2)9-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
• InChIKey: POTVFEUTMMAZCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzamide
• IUPAC Traditional name: 4-methoxy-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzamide

Database IDs

• PubChem SID: 164247525
• PubChem CID: 905874

CALCULATED PROPERTIES

• Acid pKa: 15.057884
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5152082
• LogD (pH = 7.4): 3.5152087
• Log P: 3.5152087
• Molar Refractivity: 91.9916 cm^3
• Polarizability: 35.945183 Å^3
• Polar Surface Area: 54.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds