3-(2-oxooxolan-3-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpropanamide

• ChemBase ID: 533755
• Molecular Formular: C19H25NO3
• Molecular Mass: 315.4067
• Monoisotopic Mass: 315.18344367
• SMILES: C1(=O)OCCC1CCC(=O)N(C/C=C/c1ccccc1)CCC
• Canonical SMILES: CCCN(C(=O)CCC1CCOC1=O)C/C=C/c1ccccc1
• InChI: InChI=1S/C19H25NO3/c1-2-13-20(14-6-9-16-7-4-3-5-8-16)18(21)11-10-17-12-15-23-19(17)22/h3-9,17H,2,10-15H2,1H3/b9-6+
• InChIKey: XTAVTPJGPVVPLR-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-oxooxolan-3-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpropanamide
• IUPAC Traditional name: 3-(2-oxooxolan-3-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpropanamide
• Synonyms: 3-(2-oxotetrahydrofuran-3-yl)-N-[(2E)-3-phenylprop-2-en-1-yl]-N-propylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1155615
• LogD (pH = 7.4): 3.1155617
• Log P: 3.1155617
• Molar Refractivity: 91.5694 cm^3
• Polarizability: 35.343716 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.49
• LOG S: -3.62
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 8