N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)-2-(thiophen-3-yl)acetamide

• ChemBase ID: 637478
• Molecular Formular: C18H21NO2S
• Molecular Mass: 315.42984
• Monoisotopic Mass: 315.12929992
• SMILES: C(=O)(N(Cc1c(OCC)cccc1)CC=C)Cc1cscc1
• Canonical SMILES: C=CCN(C(=O)Cc1cscc1)Cc1ccccc1OCC
• InChI: InChI=1S/C18H21NO2S/c1-3-10-19(18(20)12-15-9-11-22-14-15)13-16-7-5-6-8-17(16)21-4-2/h3,5-9,11,14H,1,4,10,12-13H2,2H3
• InChIKey: QLFFMQNBBXJDIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)-2-(thiophen-3-yl)acetamide
• IUPAC Traditional name: N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)-2-(thiophen-3-yl)acetamide
• Synonyms: N-allyl-N-(2-ethoxybenzyl)-2-(3-thienyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.686705
• LogD (pH = 7.4): 3.686705
• Log P: 3.686705
• Molar Refractivity: 91.0741 cm^3
• Polarizability: 34.93987 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.52
• LOG S: -4.51
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8