Butanamide,N,N'-(2,5-dimethyl-1,4-phenylene)bis[3-oxo- (24304-50-5)

The IUPAC name of N,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide) is N-[2,5-dimethyl-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide. With the CAS registry number 24304-50-5, it is also named as 2,5-Bis(acetoacetamido)-1,4-xylene. The product is off-white to brownish powder. Moreover, its molecular formula is C₁₆H₂₀N₂O₄ and its molecular weight is 304.34. 

The other characteristics of N,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide) can be summarized as: (1)EINECS: 246-141-3; (2)ACD/LogP: 0.00; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0; (5)ACD/LogD (pH 7.4): 0; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 23.78; (9)ACD/KOC (pH 7.4): 23.65; (10)H bond acceptors: 6; (11)H bond donors: 2; (12)Freely Rotating Bonds: 6; (13)Polar Surface Area: 74.76 Å²; (14)Index of Refraction: 1.583; (15)Molar Refractivity: 83.03 cm³; (16)Molar Volume: 248.4 cm³; (17)Polarizability: 32.91×10^-24cm³; (18)Surface Tension: 49.6 dyne/cm; (19)Density: 1.225 g/cm³; (20)Flash Point: 191.8 °C; (21)Enthalpy of Vaporization: 79.88 kJ/mol; (22)Boiling Point: 524.8 °C at 760 mmHg; (23)Vapour Pressure: 4.16E-11 mmHg at 25 °C.

Uses of N,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide): this chemical is used as intermediate for the manufacture of organic pigments on the base of bisacetacetic acid Arylides. Moreover, it is use as intermediate in high performance pigment.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(Nc1cc(c(cc1C)NC(=O)CC(=O)C)C)CC(=O)C
(2)InChI:InChI=1/C16H20N2O4/c1-9-5-14(18-16(22)8-12(4)20)10(2)6-13(9)17-15(21)7-11(3)19/h5-6H,7-8H2,1-4H3,(H,17,21)(H,18,22)
(3)InChIKey:NPISXGVUUHHCHZ-UHFFFAOYAL
(4)Std. InChI:InChI=1S/C16H20N2O4/c1-9-5-14(18-16(22)8-12(4)20)10(2)6-13(9)17-15(21)7-11(3)19/h5-6H,7-8H2,1-4H3,(H,17,21)(H,18,22)
(5)Std. InChIKey:NPISXGVUUHHCHZ-UHFFFAOYSA-N