chempirical

2,2′-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]

C40H60N2O8CAS 70331-94-1696.93 g/mol

Open in Covalent MOL file
OOHNOOHNOOHOHO
AmideEsterPhenol

Properties

Molecular formula
C40H60N2O8
Molar mass
696.93 g/mol
Exact mass
696.4350 Da
Melting point
178 °C
logP
6.17Crippen estimate
Polar surface area
151.3 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
12

Identifiers

CAS number
70331-94-1
SMILES
CC(C)(C)c1cc(CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIKey
OXWDLAHVJDUQJM-UHFFFAOYSA-N
InChI
InChI=1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1′-[(1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl)] ester
  • Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, (1,2-dioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) ester
  • XL 1
  • Naugard XL 1
  • 2,2′-Oxamidodiethyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
  • N,N′-Bis(2-hydroxyethyl)oxamide bis[β-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
  • MD 697
  • MD 697 (antioxidant)
  • ST 697
  • Naugard XL-I
  • Omnistab AN 697
  • (Oxalylbis(azanediyl))bis(ethane-2,1-diyl) bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate)

Work with 2,2′-Oxamidobis[ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiodiethylene bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)41484-35-969 % similar Pentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)6683-19-867 % similar Antioxidant 10762082-79-365 % similar Methyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate6386-38-563 % similar Antioxidant 24536443-68-262 % similar Chiguard 5530104810-47-156 % similar 3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-553 % similar α-[3-[3-(2H-Benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]-ω-hydroxypoly(oxy-1,2-ethanediyl)104810-48-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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