2-(4-methoxyphenyl)-N-(1-methyl-1H-indol-4-yl)acetamide

• ChemBase ID: 224489
• Molecular Formular: C18H18N2O2
• Molecular Mass: 294.34772
• Monoisotopic Mass: 294.13682783
• SMILES: c12ccn(c1cccc2NC(=O)Cc1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1cccc2c1ccn2C
• InChI: InChI=1S/C18H18N2O2/c1-20-11-10-15-16(4-3-5-17(15)20)19-18(21)12-13-6-8-14(22-2)9-7-13/h3-11H,12H2,1-2H3,(H,19,21)
• InChIKey: DWBJRBUGBCGFSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)-N-(1-methyl-1H-indol-4-yl)acetamide
• IUPAC Traditional name: 2-(4-methoxyphenyl)-N-(1-methylindol-4-yl)acetamide

Database IDs

• PubChem SID: 164280399
• PubChem CID: 52905002

CALCULATED PROPERTIES

• Acid pKa: 13.075526
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2100627
• LogD (pH = 7.4): 3.210062
• Log P: 3.2100627
• Molar Refractivity: 88.0893 cm^3
• Polarizability: 34.3105 Å^3
• Polar Surface Area: 43.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds