N-{2-[(4,7-dimethoxy-1H-indol-2-yl)formamido]ethyl}-2-(1H-indol-3-yl)acetamide

• ChemBase ID: 223318
• Molecular Formular: C23H24N4O4
• Molecular Mass: 420.46106
• Monoisotopic Mass: 420.17975527
• SMILES: [nH]1c(cc2c1c(ccc2OC)OC)C(=O)NCCNC(=O)Cc1c[nH]c2c1cccc2
• Canonical SMILES: COc1ccc(c2c1[nH]c(c2)C(=O)NCCNC(=O)Cc1c[nH]c2c1cccc2)OC
• InChI: InChI=1S/C23H24N4O4/c1-30-19-7-8-20(31-2)22-16(19)12-18(27-22)23(29)25-10-9-24-21(28)11-14-13-26-17-6-4-3-5-15(14)17/h3-8,12-13,26-27H,9-11H2,1-2H3,(H,24,28)(H,25,29)
• InChIKey: DYDRWJHURYFCMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164279228
• PubChem CID: 49652132

CALCULATED PROPERTIES

• Acid pKa: 11.677958
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): 1.705947
• LogD (pH = 7.4): 1.7059273
• Log P: 1.7059474
• Molar Refractivity: 117.1255 cm^3
• Polarizability: 46.782852 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