4-(1H-indol-2-ylformamido)-N-[2-(1H-indol-3-yl)ethyl]butanamide

• ChemBase ID: 220520
• Molecular Formular: C23H24N4O2
• Molecular Mass: 388.46226
• Monoisotopic Mass: 388.18992603
• SMILES: c1([nH]c2c(c1)cccc2)C(=O)NCCCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(NCCc1c[nH]c2c1cccc2)CCCNC(=O)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C23H24N4O2/c28-22(24-13-11-17-15-26-20-9-4-2-7-18(17)20)10-5-12-25-23(29)21-14-16-6-1-3-8-19(16)27-21/h1-4,6-9,14-15,26-27H,5,10-13H2,(H,24,28)(H,25,29)
• InChIKey: DJIKFFYADCPPOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1H-indol-2-ylformamido)-N-[2-(1H-indol-3-yl)ethyl]butanamide
• IUPAC Traditional name: 4-(1H-indol-2-ylformamido)-N-[2-(1H-indol-3-yl)ethyl]butanamide

Database IDs

• PubChem SID: 164276430
• PubChem CID: 17572320

CALCULATED PROPERTIES

• Acid pKa: 12.370893
• H Acceptors: 2
• H Donor: 4
• LogD (pH = 5.5): 2.5986118
• LogD (pH = 7.4): 2.5986083
• Log P: 2.5986123
• Molar Refractivity: 113.7091 cm^3
• Polarizability: 45.46634 Å^3
• Polar Surface Area: 89.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds