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

• ChemBase ID: 217749
• Molecular Formular: C19H22N4O3
• Molecular Mass: 354.40298
• Monoisotopic Mass: 354.16919058
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CC1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(NC1CC1)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C19H22N4O3/c24-17(21-13-5-6-13)8-7-16-18(25)23(19(26)22-16)10-9-12-11-20-15-4-2-1-3-14(12)15/h1-4,11,13,16,20H,5-10H2,(H,21,24)(H,22,26)/t16-/m0/s1
• InChIKey: WQQCJCJPRSSSRO-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273659
• PubChem CID: 16407745

CALCULATED PROPERTIES

• Acid pKa: 12.0407915
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.98326284
• LogD (pH = 7.4): 0.9832536
• Log P: 0.98326343
• Molar Refractivity: 95.6113 cm^3
• Polarizability: 37.956154 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds