Propanediamide,N1,N3-bis(4-methoxyphenyl)-

The CAS registry number of Propanediamide,N1,N3-bis(4-methoxyphenyl)- is 15589-58-9. This chemical is also named as N,N'-Bis(4-methoxyphenyl)malonamide. In addition, its molecular formula is C₁₇H₁₈N₂O₄ and molecular weight is 314.3358. Its systematic name and IUPAC name are the same which is called N,N'-bis(4-methoxyphenyl)propanediamide.

Physical properties about Propanediamide,N1,N3-bis(4-methoxyphenyl)- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 23.63; (6)ACD/BCF (pH 7.4): 18.76; (7)ACD/KOC (pH 5.5): 334.49; (8)ACD/KOC (pH 7.4): 265.52; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 87.72 cm³; (14)Molar Volume: 247.9 cm³; (15)Surface Tension: 51.2 dyne/cm; (16)Density: 1.267 g/cm³; (17)Flash Point: 322.6 °C; (18)Enthalpy of Vaporization: 90.58 kJ/mol; (19)Boiling Point: 609.9 °C at 760 mmHg.

Preparation: this chemical can be prepared by 4-methoxy-aniline and malonic acid diethyl ester. This reaction will need reagent nitrobenzene. The reaction temperature is 230-235 °C.

Uses of Propanediamide,N1,N3-bis(4-methoxyphenyl)-: it can be used to produce 4-hydroxy-6-methoxy-1H-quinolin-2-one at temperature of 120-140 °C. It will need reagent polyphosphoric acid with reaction time of 16 hours. The yield is about 85 %.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(OC)cc1)CC(=O)Nc2ccc(OC)cc2
(2)InChI: InChI=1/C17H18N2O4/c1-22-14-7-3-12(4-8-14)18-16(20)11-17(21)19-13-5-9-15(23-2)10-6-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
(3)InChIKey: MSEFNNYTRUIQHL-UHFFFAOYAC