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

• ChemBase ID: 225399
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: c1(cn(c2c1cccc2)CCC(=O)NCCn1ccc2c1cccc2)C(=O)C
• Canonical SMILES: O=C(CCn1cc(c2c1cccc2)C(=O)C)NCCn1ccc2c1cccc2
• InChI: InChI=1S/C23H23N3O2/c1-17(27)20-16-26(22-9-5-3-7-19(20)22)14-11-23(28)24-12-15-25-13-10-18-6-2-4-8-21(18)25/h2-10,13,16H,11-12,14-15H2,1H3,(H,24,28)
• InChIKey: OHPOLNDXDKFCNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281309
• PubChem CID: 56763602

CALCULATED PROPERTIES

• Acid pKa: 15.499631
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1092198
• LogD (pH = 7.4): 3.1092198
• Log P: 3.1092198
• Molar Refractivity: 110.0191 cm^3
• Polarizability: 44.557518 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds