N-[1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxy-1H-indol-1-yl)acetamide

• ChemBase ID: 221482
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n1(c2c(cc1)cc(cc2)OC)CC(=O)NC(Cc1c[nH]c2c1cccc2)C
• Canonical SMILES: COc1ccc2c(c1)ccn2CC(=O)NC(Cc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C22H23N3O2/c1-15(11-17-13-23-20-6-4-3-5-19(17)20)24-22(26)14-25-10-9-16-12-18(27-2)7-8-21(16)25/h3-10,12-13,15,23H,11,14H2,1-2H3,(H,24,26)
• InChIKey: LYTLKPPNQNKOGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxy-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide

Database IDs

• PubChem SID: 164277392
• PubChem CID: 42648821

CALCULATED PROPERTIES

• Acid pKa: 15.441475
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5612006
• LogD (pH = 7.4): 3.5612006
• Log P: 3.5612006
• Molar Refractivity: 106.1808 cm^3
• Polarizability: 43.332012 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds