5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione

• ChemBase ID: 182520
• Molecular Formular: C14H18N2O3
• Molecular Mass: 262.30432
• Monoisotopic Mass: 262.13174245
• SMILES: N1C(=O)C(NC1=O)c1ccc(cc1)OCCC(C)C
• Canonical SMILES: CC(CCOc1ccc(cc1)C1NC(=O)NC1=O)C
• InChI: InChI=1S/C14H18N2O3/c1-9(2)7-8-19-11-5-3-10(4-6-11)12-13(17)16-14(18)15-12/h3-6,9,12H,7-8H2,1-2H3,(H2,15,16,17,18)
• InChIKey: NJNLELAIPSFDOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[4-(3-methylbutoxy)phenyl]imidazolidine-2,4-dione

Database IDs

• PubChem SID: 164238430
• PubChem CID: 2835312

CALCULATED PROPERTIES

• Acid pKa: 9.56461
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9394188
• LogD (pH = 7.4): 1.9365269
• Log P: 1.9394557
• Molar Refractivity: 70.2894 cm^3
• Polarizability: 27.437368 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds