N'-(2-ethoxyphenyl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanediamide

• ChemBase ID: 575947
• Molecular Formular: C17H23N3O5
• Molecular Mass: 349.38162
• Monoisotopic Mass: 349.16377085
• SMILES: C1(=O)N(CCNC(=O)CC(=O)Nc2c(OCC)cccc2)CCCO1
• Canonical SMILES: CCOc1ccccc1NC(=O)CC(=O)NCCN1CCCOC1=O
• InChI: InChI=1S/C17H23N3O5/c1-2-24-14-7-4-3-6-13(14)19-16(22)12-15(21)18-8-10-20-9-5-11-25-17(20)23/h3-4,6-7H,2,5,8-12H2,1H3,(H,18,21)(H,19,22)
• InChIKey: IZPWAPYZEAZRCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-ethoxyphenyl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanediamide
• IUPAC Traditional name: N'-(2-ethoxyphenyl)-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]propanediamide
• Synonyms: N-(2-ethoxyphenyl)-N'-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.164492
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.47231948
• LogD (pH = 7.4): 0.47231245
• Log P: 0.47231957
• Molar Refractivity: 92.0061 cm^3
• Polarizability: 34.923004 Å^3
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.12
• LOG S: -2.7
• Polar Surface Area: 96.97 Å^2
• Rotatable Bonds: 8