2-[(4S)-1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

• ChemBase ID: 221325
• Molecular Formular: C24H24N4O6
• Molecular Mass: 464.47056
• Monoisotopic Mass: 464.16958451
• SMILES: N1(C(=O)N[C@H](C1=O)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC)Cc1cc2c(OCO2)cc1
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)C[C@@H]1NC(=O)N(C1=O)Cc1ccc3c(c1)OCO3)c[nH]2
• InChI: InChI=1S/C24H24N4O6/c1-32-16-3-4-18-17(9-16)15(11-26-18)6-7-25-22(29)10-19-23(30)28(24(31)27-19)12-14-2-5-20-21(8-14)34-13-33-20/h2-5,8-9,11,19,26H,6-7,10,12-13H2,1H3,(H,25,29)(H,27,31)/t19-/m0/s1
• InChIKey: YHXDZJKLRJPBDW-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4S)-1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
• IUPAC Traditional name: 2-[(4S)-1-(2H-1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164277235
• PubChem CID: 29147082

CALCULATED PROPERTIES

• Acid pKa: 11.220086
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 1.4190722
• LogD (pH = 7.4): 1.419008
• Log P: 1.419073
• Molar Refractivity: 120.4878 cm^3
• Polarizability: 47.762775 Å^3
• Polar Surface Area: 121.99 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds