3-(3-acetyl-1H-indol-1-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]propanamide

• ChemBase ID: 225420
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: c1(cn(c2c1cccc2)CCC(=O)Nc1c2c(n(cc2)C(C)C)ccc1)C(=O)C
• Canonical SMILES: O=C(Nc1cccc2c1ccn2C(C)C)CCn1cc(c2c1cccc2)C(=O)C
• InChI: InChI=1S/C24H25N3O2/c1-16(2)27-14-11-19-21(8-6-10-23(19)27)25-24(29)12-13-26-15-20(17(3)28)18-7-4-5-9-22(18)26/h4-11,14-16H,12-13H2,1-3H3,(H,25,29)
• InChIKey: HKMMXDMHOFJHJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-acetyl-1H-indol-1-yl)-N-[1-(propan-2-yl)-1H-indol-4-yl]propanamide
• IUPAC Traditional name: 3-(3-acetylindol-1-yl)-N-(1-isopropylindol-4-yl)propanamide

Database IDs

• PubChem SID: 164281330
• PubChem CID: 56763622

CALCULATED PROPERTIES

• Acid pKa: 13.197448
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.09845
• LogD (pH = 7.4): 4.0984497
• Log P: 4.09845
• Molar Refractivity: 116.6559 cm^3
• Polarizability: 46.310104 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds