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

• ChemBase ID: 219763
• Molecular Formular: C20H26N4O4
• Molecular Mass: 386.44484
• Monoisotopic Mass: 386.19540533
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC(C)C)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC(C)C)c[nH]2
• InChI: InChI=1S/C20H26N4O4/c1-12(2)22-18(25)7-6-17-19(26)24(20(27)23-17)9-8-13-11-21-16-5-4-14(28-3)10-15(13)16/h4-5,10-12,17,21H,6-9H2,1-3H3,(H,22,25)(H,23,27)/t17-/m0/s1
• InChIKey: OILRCWZUAJILFY-KRWDZBQOSA-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-(propan-2-yl)propanamide
• IUPAC Traditional name: N-isopropyl-3-[(4S)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide

Database IDs

• PubChem SID: 164275673
• PubChem CID: 16409654

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.1334099
• LogD (pH = 7.4): 1.1333947
• Log P: 1.1334106
• Molar Refractivity: 104.0307 cm^3
• Polarizability: 41.207714 Å^3
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 11.832106
• H Acceptors: 4
• H Donor: 3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds