2-({[3-(prop-2-en-1-yl)-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)acetamide

• ChemBase ID: 659845
• Molecular Formular: C15H20N2O2
• Molecular Mass: 260.3315
• Monoisotopic Mass: 260.15247789
• SMILES: c1(c(ccc(c1)CNCC(=O)N)OCC=C)CC=C
• Canonical SMILES: C=CCc1cc(CNCC(=O)N)ccc1OCC=C
• InChI: InChI=1S/C15H20N2O2/c1-3-5-13-9-12(10-17-11-15(16)18)6-7-14(13)19-8-4-2/h3-4,6-7,9,17H,1-2,5,8,10-11H2,(H2,16,18)
• InChIKey: DNCHYFDSMGGIOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[3-(prop-2-en-1-yl)-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)acetamide
• IUPAC Traditional name: 2-({[3-(prop-2-en-1-yl)-4-(prop-2-en-1-yloxy)phenyl]methyl}amino)acetamide
• Synonyms: 2-{[3-allyl-4-(allyloxy)benzyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.752872
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.63148576
• LogD (pH = 7.4): 1.1027479
• Log P: 1.8747846
• Molar Refractivity: 77.126 cm^3
• Polarizability: 29.82857 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.12
• LOG S: -2.91
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 9