N-[(2-methoxyphenyl)methyl]-N-(prop-2-en-1-yl)-3-(pyridin-3-yl)propanamide

• ChemBase ID: 501619
• Molecular Formular: C19H22N2O2
• Molecular Mass: 310.39018
• Monoisotopic Mass: 310.16812795
• SMILES: C(=O)(N(Cc1c(OC)cccc1)CC=C)CCc1cnccc1
• Canonical SMILES: C=CCN(C(=O)CCc1cccnc1)Cc1ccccc1OC
• InChI: InChI=1S/C19H22N2O2/c1-3-13-21(15-17-8-4-5-9-18(17)23-2)19(22)11-10-16-7-6-12-20-14-16/h3-9,12,14H,1,10-11,13,15H2,2H3
• InChIKey: IRYUZEKBFSLHAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.68444
• LogD (pH = 7.4): 2.7750294
• Log P: 2.7763515
• Molar Refractivity: 91.6638 cm^3
• Polarizability: 35.401665 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.26
• LOG S: -2.09
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8