2-(naphthalen-2-yloxy)-N-[3-(pyridin-2-yl)propyl]propanamide

• ChemBase ID: 432673
• Molecular Formular: C21H22N2O2
• Molecular Mass: 334.41158
• Monoisotopic Mass: 334.16812795
• SMILES: C(=O)(C(Oc1cc2c(cc1)cccc2)C)NCCCc1ncccc1
• Canonical SMILES: CC(C(=O)NCCCc1ccccn1)Oc1ccc2c(c1)cccc2
• InChI: InChI=1S/C21H22N2O2/c1-16(21(24)23-14-6-10-19-9-4-5-13-22-19)25-20-12-11-17-7-2-3-8-18(17)15-20/h2-5,7-9,11-13,15-16H,6,10,14H2,1H3,(H,23,24)
• InChIKey: MNFHTCUTDGBFLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)-N-[3-(pyridin-2-yl)propyl]propanamide
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)-N-[3-(pyridin-2-yl)propyl]propanamide
• Synonyms: 2-(2-naphthyloxy)-N-[3-(2-pyridinyl)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.146092
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3351002
• LogD (pH = 7.4): 3.3818464
• Log P: 3.3824787
• Molar Refractivity: 97.6567 cm^3
• Polarizability: 39.50201 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.73
• LOG S: -3.52
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 7