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

• ChemBase ID: 218254
• Molecular Formular: C24H26N4O5
• Molecular Mass: 450.48704
• Monoisotopic Mass: 450.19031995
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1cc(c(cc1)OC)OC)CCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cc(ccc1OC)NC(=O)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C24H26N4O5/c1-32-20-9-7-16(13-21(20)33-2)26-22(29)10-8-19-23(30)28(24(31)27-19)12-11-15-14-25-18-6-4-3-5-17(15)18/h3-7,9,13-14,19,25H,8,10-12H2,1-2H3,(H,26,29)(H,27,31)/t19-/m0/s1
• InChIKey: ZSWCTERVQBIJLL-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274164
• PubChem CID: 16408229

CALCULATED PROPERTIES

• Acid pKa: 11.534791
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.2199244
• LogD (pH = 7.4): 2.2198935
• Log P: 2.219925
• Molar Refractivity: 122.8849 cm^3
• Polarizability: 47.78456 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