5-methoxy-1-methyl-N-(2-phenylethyl)-1H-indole-3-carboxamide

• ChemBase ID: 226626
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: c1(c2c(n(c1)C)ccc(c2)OC)C(=O)NCCc1ccccc1
• Canonical SMILES: COc1ccc2c(c1)c(cn2C)C(=O)NCCc1ccccc1
• InChI: InChI=1S/C19H20N2O2/c1-21-13-17(16-12-15(23-2)8-9-18(16)21)19(22)20-11-10-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,20,22)
• InChIKey: GRNGUNMKXHFLMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1-methyl-N-(2-phenylethyl)-1H-indole-3-carboxamide
• IUPAC Traditional name: 5-methoxy-1-methyl-N-(2-phenylethyl)indole-3-carboxamide

Database IDs

• PubChem SID: 164282536
• PubChem CID: 71753784

CALCULATED PROPERTIES

• Acid pKa: 15.342258
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2254632
• LogD (pH = 7.4): 3.2254634
• Log P: 3.2254634
• Molar Refractivity: 91.8471 cm^3
• Polarizability: 35.951733 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds