N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide

• ChemBase ID: 863343
• Molecular Formular: C18H28N4O3
• Molecular Mass: 348.43992
• Monoisotopic Mass: 348.21614078
• SMILES: N1(C(CNC(=O)CCN2OCCCC2)c2cnccc2)CCOCC1
• Canonical SMILES: O=C(NCC(c1cccnc1)N1CCOCC1)CCN1CCCCO1
• InChI: InChI=1S/C18H28N4O3/c23-18(5-8-22-7-1-2-11-25-22)20-15-17(16-4-3-6-19-14-16)21-9-12-24-13-10-21/h3-4,6,14,17H,1-2,5,7-13,15H2,(H,20,23)
• InChIKey: UJESWMZITKGTBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
• IUPAC Traditional name: N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-3-(1,2-oxazinan-2-yl)propanamide
• Synonyms: N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(1,2-oxazinan-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.527565
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.66525733
• LogD (pH = 7.4): -0.29988328
• Log P: -0.29252672
• Molar Refractivity: 95.2037 cm^3
• Polarizability: 37.56463 Å^3
• Polar Surface Area: 66.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.73
• LOG S: -1.06
• Polar Surface Area: 66.93 Å^2
• Rotatable Bonds: 7