(5S)-3-(3-phenylpropyl)-5-(propan-2-yl)imidazolidine-2,4-dione

• ChemBase ID: 210496
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: N1(C(=O)N[C@H](C1=O)C(C)C)CCCc1ccccc1
• Canonical SMILES: CC([C@@H]1NC(=O)N(C1=O)CCCc1ccccc1)C
• InChI: InChI=1S/C15H20N2O2/c1-11(2)13-14(18)17(15(19)16-13)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,16,19)/t13-/m0/s1
• InChIKey: PWZRLOPDPFATNF-ZDUSSCGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-3-(3-phenylpropyl)-5-(propan-2-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-5-isopropyl-3-(3-phenylpropyl)imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164266406
• PubChem CID: 6574772

CALCULATED PROPERTIES

• Acid pKa: 12.1509285
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.687418
• LogD (pH = 7.4): 2.6874104
• Log P: 2.687418
• Molar Refractivity: 73.4009 cm^3
• Polarizability: 28.58897 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds