3-(1-butyl-1H-indol-3-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione

• ChemBase ID: 198824
• Molecular Formular: C23H24N2O2
• Molecular Mass: 360.44886
• Monoisotopic Mass: 360.18377802
• SMILES: N1(C(=O)C(c2cn(c3c2cccc3)CCCC)CC1=O)c1ccc(cc1)C
• Canonical SMILES: CCCCn1cc(c2c1cccc2)C1CC(=O)N(C1=O)c1ccc(cc1)C
• InChI: InChI=1S/C23H24N2O2/c1-3-4-13-24-15-20(18-7-5-6-8-21(18)24)19-14-22(26)25(23(19)27)17-11-9-16(2)10-12-17/h5-12,15,19H,3-4,13-14H2,1-2H3
• InChIKey: SVFIGXVDOUGHLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-butyl-1H-indol-3-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 3-(1-butylindol-3-yl)-1-(4-methylphenyl)pyrrolidine-2,5-dione

Database IDs

• PubChem SID: 164254734
• PubChem CID: 5214407

CALCULATED PROPERTIES

• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 16.041601
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.724712
• LogD (pH = 7.4): 4.724712
• Log P: 4.724712
• Molar Refractivity: 106.5232 cm^3
• Polarizability: 42.10473 Å^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds