(5S)-3-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

• ChemBase ID: 204967
• Molecular Formular: C15H20N2O3
• Molecular Mass: 276.3309
• Monoisotopic Mass: 276.14739251
• SMILES: N1(C(=O)N[C@H](C1=O)CC(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN1C(=O)N[C@H](C1=O)CC(C)C
• InChI: InChI=1S/C15H20N2O3/c1-10(2)8-13-14(18)17(15(19)16-13)9-11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,19)/t13-/m0/s1
• InChIKey: BHSJMKOSSSPKGH-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-3-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-3-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164260877
• PubChem CID: 6571956

CALCULATED PROPERTIES

• Acid pKa: 11.853745
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1631317
• LogD (pH = 7.4): 2.1631167
• Log P: 2.163132
• Molar Refractivity: 75.1861 cm^3
• Polarizability: 29.275383 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds