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

• ChemBase ID: 218060
• Molecular Formular: C22H28N4O3
• Molecular Mass: 396.48272
• Monoisotopic Mass: 396.21614078
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCC1)CCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(NC1CCCCC1)CC[C@@H]1NC(=O)N(C1=O)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H28N4O3/c27-20(24-16-6-2-1-3-7-16)11-10-19-21(28)26(22(29)25-19)13-12-15-14-23-18-9-5-4-8-17(15)18/h4-5,8-9,14,16,19,23H,1-3,6-7,10-13H2,(H,24,27)(H,25,29)/t19-/m0/s1
• InChIKey: VQKYUAUDAITTPO-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164273970
• PubChem CID: 16408041

CALCULATED PROPERTIES

• Acid pKa: 12.151547
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.3169675
• LogD (pH = 7.4): 2.3169618
• Log P: 2.3169694
• Molar Refractivity: 109.4143 cm^3
• Polarizability: 43.476597 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