N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-(piperidin-3-yl)benzamide

• ChemBase ID: 513140
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: C(=O)(N(Cc1c(c(OC)ccc1)OCC)C)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: CCOc1c(cccc1OC)CN(C(=O)c1ccc(cc1)C1CCCNC1)C
• InChI: InChI=1S/C23H30N2O3/c1-4-28-22-20(7-5-9-21(22)27-3)16-25(2)23(26)18-12-10-17(11-13-18)19-8-6-14-24-15-19/h5,7,9-13,19,24H,4,6,8,14-16H2,1-3H3
• InChIKey: XMDIAPVPSODYGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-(piperidin-3-yl)benzamide
• Synonyms: N-(2-ethoxy-3-methoxybenzyl)-N-methyl-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• H Donor: 1
• LogD (pH = 5.5): 0.0018740881
• LogD (pH = 7.4): 0.71409607
• Log P: 3.2201955
• Molar Refractivity: 112.5614 cm^3
• Polarizability: 43.239193 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 1
• Log P: 2.81
• LOG S: -4.39
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• H Acceptors: 4