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

• ChemBase ID: 324141
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: C(=O)(N(Cc1ccc(cc1)OC)CCOC)c1cc(C2CNCCC2)ccc1
• Canonical SMILES: COCCN(C(=O)c1cccc(c1)C1CCCNC1)Cc1ccc(cc1)OC
• InChI: InChI=1S/C23H30N2O3/c1-27-14-13-25(17-18-8-10-22(28-2)11-9-18)23(26)20-6-3-5-19(15-20)21-7-4-12-24-16-21/h3,5-6,8-11,15,21,24H,4,7,12-14,16-17H2,1-2H3
• InChIKey: HVTNRDQXMHDPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.24195904
• LogD (pH = 7.4): 0.50166833
• Log P: 2.9740832
• Molar Refractivity: 112.3931 cm^3
• Polarizability: 43.254234 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.48
• LOG S: -4.11
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8