N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)cyclobutanecarboxamide

• ChemBase ID: 327179
• Molecular Formular: C17H23NO2
• Molecular Mass: 273.37002
• Monoisotopic Mass: 273.17287898
• SMILES: C(=O)(N(Cc1c(OCC)cccc1)CC=C)C1CCC1
• Canonical SMILES: C=CCN(C(=O)C1CCC1)Cc1ccccc1OCC
• InChI: InChI=1S/C17H23NO2/c1-3-12-18(17(19)14-9-7-10-14)13-15-8-5-6-11-16(15)20-4-2/h3,5-6,8,11,14H,1,4,7,9-10,12-13H2,2H3
• InChIKey: BFAPKSKZPUYKSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)cyclobutanecarboxamide
• IUPAC Traditional name: N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)cyclobutanecarboxamide
• Synonyms: N-allyl-N-(2-ethoxybenzyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.296288
• LogD (pH = 7.4): 3.2962883
• Log P: 3.2962883
• Molar Refractivity: 81.2466 cm^3
• Polarizability: 31.500937 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.1
• LOG S: -3.84
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7