(5S)-5-benzyl-3-(3-methoxypropyl)imidazolidine-2,4-dione

• ChemBase ID: 205905
• Molecular Formular: C14H18N2O3
• Molecular Mass: 262.30432
• Monoisotopic Mass: 262.13174245
• SMILES: N1(C(=O)N[C@H](C1=O)Cc1ccccc1)CCCOC
• Canonical SMILES: COCCCN1C(=O)N[C@H](C1=O)Cc1ccccc1
• InChI: InChI=1S/C14H18N2O3/c1-19-9-5-8-16-13(17)12(15-14(16)18)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,15,18)/t12-/m0/s1
• InChIKey: OJHXHZFIRIYKJO-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5S)-5-benzyl-3-(3-methoxypropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: (5S)-5-benzyl-3-(3-methoxypropyl)imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164261815
• PubChem CID: 6572275

CALCULATED PROPERTIES

• Acid pKa: 11.903532
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0115303
• LogD (pH = 7.4): 1.0115169
• Log P: 1.0115304
• Molar Refractivity: 70.9646 cm^3
• Polarizability: 27.457726 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds