(2S)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]propanamide

• ChemBase ID: 220160
• Molecular Formular: C24H26N4O4
• Molecular Mass: 434.48764
• Monoisotopic Mass: 434.19540533
• SMILES: [nH]1c(cc2c1c(ccc2OC)OC)C(=O)N[C@H](C(=O)NCCc1c[nH]c2c1cccc2)C
• Canonical SMILES: COc1ccc(c2c1[nH]c(c2)C(=O)N[C@H](C(=O)NCCc1c[nH]c2c1cccc2)C)OC
• InChI: InChI=1S/C24H26N4O4/c1-14(23(29)25-11-10-15-13-26-18-7-5-4-6-16(15)18)27-24(30)19-12-17-20(31-2)8-9-21(32-3)22(17)28-19/h4-9,12-14,26,28H,10-11H2,1-3H3,(H,25,29)(H,27,30)/t14-/m0/s1
• InChIKey: ORNLUTKCMQENIZ-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]propanamide
• IUPAC Traditional name: (2S)-2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]-N-[2-(1H-indol-3-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164276070
• PubChem CID: 17571998

CALCULATED PROPERTIES

• Acid pKa: 11.66157
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 2.3263597
• LogD (pH = 7.4): 2.3263392
• Log P: 2.32636
• Molar Refractivity: 121.675 cm^3
• Polarizability: 48.627083 Å^3
• Polar Surface Area: 108.24 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds