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Ethanediamide,N1-(2-ethoxyphenyl)-N2-(2-ethylphenyl)- (23949-66-8)

Identification
Name:Ethanediamide,N1-(2-ethoxyphenyl)-N2-(2-ethylphenyl)-
Synonyms:Ethanediamide,N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)- (9CI);Oxanilide, 2'-ethoxy-2''-ethyl-(8CI);2-Ethoxy-2'-ethyloxalic acid bisanilide;2-Ethoxy-2'-ethyloxanilide;2-Ethyl-2'-ethoxyoxalanilide;2'-Ethoxy-2''-ethyloxanilide;Hostavin VSU;Sanduvor VSU;Tinuvin 312;
CAS:23949-66-8
EINECS: 245-950-9
Molecular Formula: C18H20N2O3
Molecular Weight: 312.363
InChI: InChI=1S/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)
Molecular Structure: (C18H20N2O3) Ethanediamide,N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)- (9CI);Oxanilide, 2'-ethoxy-2''-ethyl-(8CI);2-Et...
Properties
Melting Point: 124 - 127oC
Density:1.216 g/cm3
Refractive index:1.623
Water Solubility:Soluble in acetone, chloroform and dichloromethane
Solubility:Soluble in acetone, chloroform, dichloromethane
Appearance:White to slightly yellow powder
Specification:

The IUPAC name of this chemical is N'-(2-ethoxyphenyl)-N-(2-ethylphenyl)oxamide. With the CAS registry number 23949-66-8, it is also named as Ethanediamide, N1-(2-ethoxyphenyl)-N2-(2-ethylphenyl)-. The other registry number is 54650-40-7. N-(2-Ethoxyphenyl)-N'-(4-ethylphenyl)-ethlyene diamide is white to slightly yellow powder which is soluble in acetone, chloroform and dichloromethane.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 338.97; (6)ACD/BCF (pH 7.4): 338.54; (7)ACD/KOC (pH 5.5): 2252.6; (8)ACD/KOC (pH 7.4): 2249.74; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 90.59 cm3; (14)Molar Volume: 256.8 cm3; (15)Polarizability: 35.91×10-24 cm3; (16)Surface Tension: 50.1 dyne/cm; (17)Rotatable Bond Count: 5; (18)Tautomer Count: 4; (19)Exact Mass: 312.147393; (20)MonoIsotopic Mass: 312.147393; (21)Topological Polar Surface Area: 67.4; (22)Heavy Atom Count: 23; (23)Complexity: 400.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(Nc1ccccc1CC)C(=O)Nc2ccccc2OCC
2. InChI:InChI=1/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)

Safety Data