(5S)-5-methyl-5-{4-[(7-methyloctyl)oxy]phenyl}imidazolidine-2,4-dione

• ChemBase ID: 183147
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: N1C(=O)[C@@](NC1=O)(c1ccc(cc1)OCCCCCCC(C)C)C
• Canonical SMILES: CC(CCCCCCOc1ccc(cc1)[C@]1(C)NC(=O)NC1=O)C
• InChI: InChI=1S/C19H28N2O3/c1-14(2)8-6-4-5-7-13-24-16-11-9-15(10-12-16)19(3)17(22)20-18(23)21-19/h9-12,14H,4-8,13H2,1-3H3,(H2,20,21,22,23)/t19-/m0/s1
• InChIKey: ZNLZRICMGAJIBK-IBGZPJMESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-methyl-5-{4-[(7-methyloctyl)oxy]phenyl}imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-5-methyl-5-{4-[(7-methyloctyl)oxy]phenyl}imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164239057
• PubChem CID: 6569964

CALCULATED PROPERTIES

• Acid pKa: 9.812643
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.1504755
• LogD (pH = 7.4): 4.1488395
• Log P: 4.1504965
• Molar Refractivity: 93.4067 cm^3
• Polarizability: 36.627686 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds