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

• ChemBase ID: 220335
• Molecular Formular: C20H24N4O4
• Molecular Mass: 384.42896
• Monoisotopic Mass: 384.17975527
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CC1)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC1CC1)c[nH]2
• InChI: InChI=1S/C20H24N4O4/c1-28-14-4-5-16-15(10-14)12(11-21-16)8-9-24-19(26)17(23-20(24)27)6-7-18(25)22-13-2-3-13/h4-5,10-11,13,17,21H,2-3,6-9H2,1H3,(H,22,25)(H,23,27)/t17-/m0/s1
• InChIKey: VENWNXOLPGCJGT-KRWDZBQOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164276245
• PubChem CID: 17572157

CALCULATED PROPERTIES

• Acid pKa: 11.750469
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.82559144
• LogD (pH = 7.4): 0.825573
• Log P: 0.82559216
• Molar Refractivity: 102.0745 cm^3
• Polarizability: 40.484924 Å^3
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds