3-[(4S)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)propanamide

• ChemBase ID: 219281
• Molecular Formular: C24H26N4O5
• Molecular Mass: 450.48704
• Monoisotopic Mass: 450.19031995
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1ccc(cc1)OC)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C24H26N4O5/c1-32-17-5-3-16(4-6-17)26-22(29)10-9-21-23(30)28(24(31)27-21)12-11-15-14-25-20-8-7-18(33-2)13-19(15)20/h3-8,13-14,21,25H,9-12H2,1-2H3,(H,26,29)(H,27,31)/t21-/m0/s1
• InChIKey: VEWHIHFKHWCJAS-NRFANRHFSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275191
• PubChem CID: 16409192

CALCULATED PROPERTIES

• Acid pKa: 11.521909
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.2199244
• LogD (pH = 7.4): 2.2198925
• Log P: 2.219925
• Molar Refractivity: 122.8849 cm^3
• Polarizability: 47.782234 Å^3
• Polar Surface Area: 112.76 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds