N-(butan-2-yl)-3-acetamido-N-(pyridin-3-ylmethyl)benzamide

• ChemBase ID: 323327
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: C(=O)(N(Cc1cnccc1)C(CC)C)c1cc(NC(=O)C)ccc1
• Canonical SMILES: CCC(N(C(=O)c1cccc(c1)NC(=O)C)Cc1cccnc1)C
• InChI: InChI=1S/C19H23N3O2/c1-4-14(2)22(13-16-7-6-10-20-12-16)19(24)17-8-5-9-18(11-17)21-15(3)23/h5-12,14H,4,13H2,1-3H3,(H,21,23)
• InChIKey: FHELZKOLSQHUFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(butan-2-yl)-3-acetamido-N-(pyridin-3-ylmethyl)benzamide
• IUPAC Traditional name: 3-acetamido-N-(pyridin-3-ylmethyl)-N-(sec-butyl)benzamide
• Synonyms: 3-(acetylamino)-N-(sec-butyl)-N-(pyridin-3-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.987673
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2394018
• LogD (pH = 7.4): 2.3106453
• Log P: 2.3116546
• Molar Refractivity: 95.9399 cm^3
• Polarizability: 35.936607 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.15
• LOG S: -2.11
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6