N-(1H-indol-5-yl)-3-(5-methyl-1H-indol-1-yl)propanamide

• ChemBase ID: 225652
• Molecular Formular: C20H19N3O
• Molecular Mass: 317.38436
• Monoisotopic Mass: 317.15281224
• SMILES: n1(c2c(cc1)cc(cc2)C)CCC(=O)Nc1cc2c([nH]cc2)cc1
• Canonical SMILES: O=C(Nc1ccc2c(c1)cc[nH]2)CCn1ccc2c1ccc(c2)C
• InChI: InChI=1S/C20H19N3O/c1-14-2-5-19-16(12-14)7-10-23(19)11-8-20(24)22-17-3-4-18-15(13-17)6-9-21-18/h2-7,9-10,12-13,21H,8,11H2,1H3,(H,22,24)
• InChIKey: MVEXWDDQOKWHOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1H-indol-5-yl)-3-(5-methyl-1H-indol-1-yl)propanamide
• IUPAC Traditional name: N-(1H-indol-5-yl)-3-(5-methylindol-1-yl)propanamide

Database IDs

• PubChem SID: 164281562
• PubChem CID: 71753431

CALCULATED PROPERTIES

• Acid pKa: 13.883675
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 4.057165
• LogD (pH = 7.4): 4.057165
• Log P: 4.057165
• Molar Refractivity: 97.2302 cm^3
• Polarizability: 38.924145 Å^3
• Polar Surface Area: 49.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds