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

• ChemBase ID: 219562
• Molecular Formular: C23H30N4O4
• Molecular Mass: 426.5087
• Monoisotopic Mass: 426.22670546
• SMILES: N1(C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCC1)CCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCN1C(=O)N[C@H](C1=O)CCC(=O)NC1CCCCC1)c[nH]2
• InChI: InChI=1S/C23H30N4O4/c1-31-17-7-8-19-18(13-17)15(14-24-19)11-12-27-22(29)20(26-23(27)30)9-10-21(28)25-16-5-3-2-4-6-16/h7-8,13-14,16,20,24H,2-6,9-12H2,1H3,(H,25,28)(H,26,30)/t20-/m0/s1
• InChIKey: ZZXYROFLWAJWAG-FQEVSTJZSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275472
• PubChem CID: 16409461

CALCULATED PROPERTIES

• Acid pKa: 11.881211
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.159296
• LogD (pH = 7.4): 2.1592839
• Log P: 2.1592982
• Molar Refractivity: 115.8775 cm^3
• Polarizability: 45.99972 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