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

• ChemBase ID: 217578
• Molecular Formular: C23H30N4O3
• Molecular Mass: 410.5093
• Monoisotopic Mass: 410.23179084
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCCC1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(NC1CCCCCC1)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H30N4O3/c28-21(25-17-7-3-1-2-4-8-17)12-11-20-22(29)27(23(30)26-20)14-13-16-15-24-19-10-6-5-9-18(16)19/h5-6,9-10,15,17,20,24H,1-4,7-8,11-14H2,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: HRPRZQZGZLSMTO-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273488
• PubChem CID: 16407577

CALCULATED PROPERTIES

• Acid pKa: 12.18343
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.7615361
• LogD (pH = 7.4): 2.761531
• Log P: 2.761538
• Molar Refractivity: 114.0153 cm^3
• Polarizability: 45.31775 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