3-ethoxy-N-ethyl-N-(2-methoxyethyl)-4-(prop-2-en-1-yloxy)benzamide

• ChemBase ID: 496439
• Molecular Formular: C17H25NO4
• Molecular Mass: 307.3847
• Monoisotopic Mass: 307.17835829
• SMILES: C(=O)(c1cc(c(cc1)OCC=C)OCC)N(CCOC)CC
• Canonical SMILES: COCCN(C(=O)c1ccc(c(c1)OCC)OCC=C)CC
• InChI: InChI=1S/C17H25NO4/c1-5-11-22-15-9-8-14(13-16(15)21-7-3)17(19)18(6-2)10-12-20-4/h5,8-9,13H,1,6-7,10-12H2,2-4H3
• InChIKey: JJXLABRTNUOLPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-N-ethyl-N-(2-methoxyethyl)-4-(prop-2-en-1-yloxy)benzamide
• IUPAC Traditional name: 3-ethoxy-N-ethyl-N-(2-methoxyethyl)-4-(prop-2-en-1-yloxy)benzamide
• Synonyms: 4-(allyloxy)-3-ethoxy-N-ethyl-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3537858
• LogD (pH = 7.4): 2.353786
• Log P: 2.353786
• Molar Refractivity: 87.5596 cm^3
• Polarizability: 33.382877 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.66
• LOG S: -3.71
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 10