N-[(3-methoxyphenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-(prop-2-en-1-yl)acetamide

• ChemBase ID: 670087
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: C(=O)(N(Cc1cc(OC)ccc1)CC=C)CN(Cc1cnccc1)C
• Canonical SMILES: C=CCN(C(=O)CN(Cc1cccnc1)C)Cc1cccc(c1)OC
• InChI: InChI=1S/C20H25N3O2/c1-4-11-23(15-17-7-5-9-19(12-17)25-3)20(24)16-22(2)14-18-8-6-10-21-13-18/h4-10,12-13H,1,11,14-16H2,2-3H3
• InChIKey: KFCNXUPQRPELLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.85680693
• LogD (pH = 7.4): 2.028578
• Log P: 2.1134148
• Molar Refractivity: 100.3825 cm^3
• Polarizability: 38.768383 Å^3
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.5
• LOG S: -2.51
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 9