N-[2-(2-phenoxyphenyl)ethyl]oxolane-3-carboxamide

• ChemBase ID: 438670
• Molecular Formular: C19H21NO3
• Molecular Mass: 311.37494
• Monoisotopic Mass: 311.15214354
• SMILES: C(=O)(C1COCC1)NCCc1c(Oc2ccccc2)cccc1
• Canonical SMILES: O=C(C1COCC1)NCCc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C19H21NO3/c21-19(16-11-13-22-14-16)20-12-10-15-6-4-5-9-18(15)23-17-7-2-1-3-8-17/h1-9,16H,10-14H2,(H,20,21)
• InChIKey: OVEWOOOLQPOLAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-phenoxyphenyl)ethyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-[2-(2-phenoxyphenyl)ethyl]oxolane-3-carboxamide
• Synonyms: N-[2-(2-phenoxyphenyl)ethyl]tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.415263
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8391538
• LogD (pH = 7.4): 2.8391538
• Log P: 2.8391538
• Molar Refractivity: 88.9667 cm^3
• Polarizability: 34.71608 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.89
• LOG S: -3.94
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6