N-(1H-indol-5-yl)-3-(4-methoxy-1H-indol-1-yl)propanamide

• ChemBase ID: 224888
• Molecular Formular: C20H19N3O2
• Molecular Mass: 333.38376
• Monoisotopic Mass: 333.14772686
• SMILES: c12ccn(c1cccc2OC)CCC(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: COc1cccc2c1ccn2CCC(=O)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C20H19N3O2/c1-25-19-4-2-3-18-16(19)8-11-23(18)12-9-20(24)22-15-5-6-17-14(13-15)7-10-21-17/h2-8,10-11,13,21H,9,12H2,1H3,(H,22,24)
• InChIKey: NRSQLTDTXKFFDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-5-yl)-3-(4-methoxy-1H-indol-1-yl)propanamide
• IUPAC Traditional name: N-(1H-indol-5-yl)-3-(4-methoxyindol-1-yl)propanamide

Database IDs

• PubChem SID: 164280798
• PubChem CID: 52905422

CALCULATED PROPERTIES

• Acid pKa: 13.883675
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3860726
• LogD (pH = 7.4): 3.3860724
• Log P: 3.3860726
• Molar Refractivity: 98.6522 cm^3
• Polarizability: 39.631664 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds