3-(3-acetyl-1H-indol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

• ChemBase ID: 223363
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: c1(cn(c2c1cccc2)CCC(=O)NCCc1c[nH]c2c1cccc2)C(=O)C
• Canonical SMILES: O=C(CCn1cc(c2c1cccc2)C(=O)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H23N3O2/c1-16(27)20-15-26(22-9-5-3-7-19(20)22)13-11-23(28)24-12-10-17-14-25-21-8-4-2-6-18(17)21/h2-9,14-15,25H,10-13H2,1H3,(H,24,28)
• InChIKey: YHXIWYBDYIKDDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-acetyl-1H-indol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

Database IDs

• PubChem SID: 164279273
• PubChem CID: 49652168

CALCULATED PROPERTIES

• Acid pKa: 15.42621
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.0969572
• LogD (pH = 7.4): 3.0969572
• Log P: 3.0969572
• Molar Refractivity: 110.401 cm^3
• Polarizability: 44.556522 Å^3
• Polar Surface Area: 66.89 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds