Tox21_202528

Synopsis, Chemistry

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Also known as: Oleic acid diethanolamide, 93-83-4, N,n-diethanololeamide, Oleamide dea, Amisol ode, Diethanololeamide

Molecular Formula

C₂₂H₄₃NO₃

Molecular Weight

369.6 g/mol

InChI Key

LPMBTLLQQJBUOO-KTKRTIGZSA-N

FDA UNII

5C1I3E441Q

1 2D Structure

Tox21_202528

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-N,N-bis(2-hydroxyethyl)octadec-9-enamide

2.1.2 InChI

InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3/b10-9-

2.1.3 InChI Key

LPMBTLLQQJBUOO-KTKRTIGZSA-N

2.1.4 Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO

2.1.5 Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO

2.2 Other Identifiers

2.2.1 UNII

5C1I3E441Q

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Oleic Acid Diethanolamide

2. 93-83-4

3. N,n-diethanololeamide

4. Oleamide Dea

5. Amisol Ode

6. Diethanololeamide

7. Mackamide O

8. Comperlan Od

9. Emulsifier Whc

10. Schercomid Oda

11. Alrosol O

12. Lauridit Od

13. Nitrene No

14. Stafoam Do

15. N,n-bis(2-hydroxyethyl)oleamide

16. Witcamide 511c

17. Marlamid D 1885

18. Steinamid Do 280se

19. (z)-n,n-bis(2-hydroxyethyl)octadec-9-enamide

20. 9-octadecenamide, N,n-bis(2-hydroxyethyl)-, (z)-

21. Emid 6545

22. Oleic Acid Diethanolamine Condensate

23. Oleamide, N,n-bis(2-hydroxyethyl)-

24. 9-octadecenamide, N,n-bis(2-hydroxyethyl)-, (9z)-

25. N,n-bis-(2-hydroxyethyl)oleamide

26. 5c1i3e441q

27. N,n-bis(2-hydroxyethyl)-9-octadecenamide

28. 9-octadecenamide, N,n-bis(2-hydroxyethyl)-

29. (9z)-n,n-bis(2-hydroxyethyl)octadec-9-enamide

30. Clindrol 2000

31. Clindrol 2020

32. Unii-5c1i3e441q

33. Incromide Od

34. Mackamide Mo

35. Amidex O

36. Varamide A-7

37. Einecs 202-281-7

38. Oleoyl Diethanolamide

39. Alkamide Do-280

40. Oleylamide Dea

41. Brn 1985420

42. Calamide O

43. Norfox F-221

44. Protamide Ofo-ld

45. Oleic Acid Diethanolamine

46. Rewomid Do 280 Se

47. Dsstox_cid_6563

48. Ninol 90201

49. (z)-n,n-bis(2-hydroxyethyl)-9-octadecenamide

50. Dsstox_rid_78152

51. Oleamide Dea [inci]

52. Dsstox_gsid_26563

53. Chembl15712

54. Schercomid So-a (salt/mix)

55. Diethanolamine Oleic Acid Amide

56. Schembl1614760

57. Dtxsid8026563

58. N,n-diethanololeamide, Aldrichcpr

59. Zinc8585892

60. Tox21_202528

61. Cas-93-83-4

62. Ncgc00091445-01

63. Ncgc00260077-01

64. (9z)-n,n-bis(2-hydroxyethyl)-9-octadecenamide #

65. Q27261806

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₄₃NO₃
Molecular Weight	369.6 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	19
Exact Mass	369.32429423 g/mol
Monoisotopic Mass	369.32429423 g/mol
Topological Polar Surface Area	60.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	325
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1