Butanamide,N-[5-(acetylamino)-2-methoxyphenyl]-3-oxo- (112854-88-3)

The 3-(N-Acetoaceto)amino-4-methoxyacetanilide with the CAS number 112854-88-3 is also called Butanamide,N-[5-(acetylamino)-2-methoxyphenyl]-3-oxo-. The systematic name is N-[5-(acetylamino)-2-methoxyphenyl]-3-oxobutanamide. Its molecular formula is C₁₃H₁₆N₂O₄. The product category is Amines. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-(N-Acetoaceto)amino-4-methoxyacetanilide are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.98; (8)ACD/KOC (pH 7.4): 32.75; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)olar Surface Area: 84.5 Å²; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 70.77 cm³; (15)Molar Volume: 209.7 cm³; (16)Polarizability: 28.05×10^-24cm³; (17)Surface Tension: 49.4 dyne/cm; (18)Enthalpy of Vaporization: 78.93 kJ/mol; (19)Vapour Pressure: 8.48×10^-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1NC(=O)CC(C)=O)NC(C)=O
(2)InChI: InChI=1/C13H16N2O4/c1-8(16)6-13(18)15-11-7-10(14-9(2)17)4-5-12(11)19-3/h4-5,7H,6H2,1-3H3,(H,14,17)(H,15,18)
(3)InChIKey: RKBATQSRJPGXIS-UHFFFAOYAY