2-(dimethylamino)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide

• ChemBase ID: 417343
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: C(=O)(N(C/C=C/c1ccccc1)CC)CN(C)C
• Canonical SMILES: CCN(C(=O)CN(C)C)C/C=C/c1ccccc1
• InChI: InChI=1S/C15H22N2O/c1-4-17(15(18)13-16(2)3)12-8-11-14-9-6-5-7-10-14/h5-11H,4,12-13H2,1-3H3/b11-8+
• InChIKey: LVMSHLRJLSXHKX-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide
• Synonyms: 2-(dimethylamino)-N-ethyl-N-[(2E)-3-phenylprop-2-en-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.009823782
• LogD (pH = 7.4): 1.6465561
• Log P: 1.9997591
• Molar Refractivity: 77.3681 cm^3
• Polarizability: 29.495483 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.67
• LOG S: -3.28
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 6