3-(1,2-oxazinan-2-yl)-N-[3-(pyridin-3-yloxy)propyl]propanamide

• ChemBase ID: 381288
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: N1(OCCCC1)CCC(=O)NCCCOc1cnccc1
• Canonical SMILES: O=C(CCN1CCCCO1)NCCCOc1cccnc1
• InChI: InChI=1S/C15H23N3O3/c19-15(6-10-18-9-1-2-12-21-18)17-8-4-11-20-14-5-3-7-16-13-14/h3,5,7,13H,1-2,4,6,8-12H2,(H,17,19)
• InChIKey: SWHNEEKRIBFEKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1,2-oxazinan-2-yl)-N-[3-(pyridin-3-yloxy)propyl]propanamide
• IUPAC Traditional name: 3-(1,2-oxazinan-2-yl)-N-[3-(pyridin-3-yloxy)propyl]propanamide
• Synonyms: 3-(1,2-oxazinan-2-yl)-N-[3-(pyridin-3-yloxy)propyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.435155
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.24354081
• LogD (pH = 7.4): -0.17388389
• Log P: -0.17290163
• Molar Refractivity: 79.2449 cm^3
• Polarizability: 31.235947 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.74
• LOG S: -2.82
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8