N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)-4-(piperidin-3-yl)benzamide

• ChemBase ID: 478959
• Molecular Formular: C23H30N2O3
• Molecular Mass: 382.4959
• Monoisotopic Mass: 382.22564283
• SMILES: C(=O)(N(Cc1cc(OCC)ccc1)CCO)c1ccc(cc1)C1CNCCC1
• Canonical SMILES: OCCN(C(=O)c1ccc(cc1)C1CCCNC1)Cc1cccc(c1)OCC
• InChI: InChI=1S/C23H30N2O3/c1-2-28-22-7-3-5-18(15-22)17-25(13-14-26)23(27)20-10-8-19(9-11-20)21-6-4-12-24-16-21/h3,5,7-11,15,21,24,26H,2,4,6,12-14,16-17H2,1H3
• InChIKey: UQMQOLBXYOCHGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-[(3-ethoxyphenyl)methyl]-N-(2-hydroxyethyl)-4-(piperidin-3-yl)benzamide
• Synonyms: N-(3-ethoxybenzyl)-N-(2-hydroxyethyl)-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.572955
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.53054243
• LogD (pH = 7.4): 0.18188359
• Log P: 2.6877646
• Molar Refractivity: 112.3905 cm^3
• Polarizability: 43.180824 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.5
• LOG S: -4.12
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 8