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

• ChemBase ID: 219236
• Molecular Formular: C25H28N4O6
• Molecular Mass: 480.51302
• Monoisotopic Mass: 480.20088464
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)Nc1cc(c(c(c1)OC)OC)OC)CCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cc(NC(=O)CC[C@@H]2NC(=O)N(C2=O)CCc2c[nH]c3c2cccc3)cc(c1OC)OC
• InChI: InChI=1S/C25H28N4O6/c1-33-20-12-16(13-21(34-2)23(20)35-3)27-22(30)9-8-19-24(31)29(25(32)28-19)11-10-15-14-26-18-7-5-4-6-17(15)18/h4-7,12-14,19,26H,8-11H2,1-3H3,(H,27,30)(H,28,32)/t19-/m0/s1
• InChIKey: BIXCAKTWYQFXEA-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275146
• PubChem CID: 16409150

CALCULATED PROPERTIES

• Acid pKa: 11.349547
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 2.062253
• LogD (pH = 7.4): 2.0622053
• Log P: 2.0622535
• Molar Refractivity: 129.3481 cm^3
• Polarizability: 50.317253 Å^3
• Polar Surface Area: 121.99 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds