2-ethoxy-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 641215
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: C(=O)(c1c(OCC)cccc1)N(Cc1ncccc1)C(CO)CC
• Canonical SMILES: CCOc1ccccc1C(=O)N(C(CO)CC)Cc1ccccn1
• InChI: InChI=1S/C19H24N2O3/c1-3-16(14-22)21(13-15-9-7-8-12-20-15)19(23)17-10-5-6-11-18(17)24-4-2/h5-12,16,22H,3-4,13-14H2,1-2H3
• InChIKey: NRDSGUBZTQZWHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 2-ethoxy-N-(1-hydroxybutan-2-yl)-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 2-ethoxy-N-[1-(hydroxymethyl)propyl]-N-(pyridin-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.093664
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2899835
• LogD (pH = 7.4): 2.3074157
• Log P: 2.307643
• Molar Refractivity: 93.3102 cm^3
• Polarizability: 36.03994 Å^3
• Polar Surface Area: 62.66 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: 2.42
• LOG S: -2.37
• Polar Surface Area: 62.66 Å^2
• Rotatable Bonds: 8