2-(cyclopent-2-en-1-yl)-N-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 713846
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: C(=O)(N(Cc1cc(OC)ccc1)CC=C)CC1C=CCC1
• Canonical SMILES: C=CCN(C(=O)CC1C=CCC1)Cc1cccc(c1)OC
• InChI: InChI=1S/C18H23NO2/c1-3-11-19(18(20)13-15-7-4-5-8-15)14-16-9-6-10-17(12-16)21-2/h3-4,6-7,9-10,12,15H,1,5,8,11,13-14H2,2H3
• InChIKey: HYPCKOMSRGMBPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopent-2-en-1-yl)-N-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-(cyclopent-2-en-1-yl)-N-[(3-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)acetamide
• Synonyms: N-allyl-2-cyclopent-2-en-1-yl-N-(3-methoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2107284
• LogD (pH = 7.4): 3.210729
• Log P: 3.210729
• Molar Refractivity: 86.7907 cm^3
• Polarizability: 33.10716 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: 3.27
• LOG S: -4.07
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7