2-[4-(propan-2-yloxy)benzamido]-N-(pyridin-2-ylmethyl)benzamide

• ChemBase ID: 863758
• Molecular Formular: C23H23N3O3
• Molecular Mass: 389.44702
• Monoisotopic Mass: 389.17394161
• SMILES: c1(C(=O)NCc2ncccc2)c(NC(=O)c2ccc(OC(C)C)cc2)cccc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C23H23N3O3/c1-16(2)29-19-12-10-17(11-13-19)22(27)26-21-9-4-3-8-20(21)23(28)25-15-18-7-5-6-14-24-18/h3-14,16H,15H2,1-2H3,(H,25,28)(H,26,27)
• InChIKey: XSOYFWRCADNDBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(propan-2-yloxy)benzamido]-N-(pyridin-2-ylmethyl)benzamide
• IUPAC Traditional name: 2-(4-isopropoxybenzamido)-N-(pyridin-2-ylmethyl)benzamide
• Synonyms: 2-[(4-isopropoxybenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.422768
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.9754615
• LogD (pH = 7.4): 3.9931996
• Log P: 3.9934313
• Molar Refractivity: 113.1307 cm^3
• Polarizability: 42.501465 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.39
• LOG S: -3.64
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 7