CAS 880-52-4

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Also known as: 880-52-4, N-(1-adamantyl)acetamide, N-(adamantan-1-yl)acetamide, 1-acetylaminoadamantane, N-adamantylacetamide, 1-adamantylacetamide

Molecular Formula

C₁₂H₁₉NO

Molecular Weight

193.28 g/mol

InChI Key

BCVXYGJCDZPKGV-UHFFFAOYSA-N

FDA UNII

5283Y1VOII

1 2D Structure

CAS 880-52-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(1-adamantyl)acetamide

2.1.2 InChI

InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)

2.1.3 InChI Key

BCVXYGJCDZPKGV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)NC12CC3CC(C1)CC(C3)C2

2.2 Other Identifiers

2.2.1 UNII

5283Y1VOII

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 880-52-4

2. N-(1-adamantyl)acetamide

3. N-(adamantan-1-yl)acetamide

4. 1-acetylaminoadamantane

5. N-adamantylacetamide

6. 1-adamantylacetamide

7. N-1-adamantylacetamide

8. Acetamide, N-1-adamantyl-

9. N-acetyl Adamantamine

10. Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-

11. Acetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-

12. Amantadine Related Compound B

13. 5283y1voii

14. Nsc-527917

15. 1-acetamino Adamantane

16. Einecs 212-914-9

17. Nsc 527917

18. Brn 2098306

19. Unii-5283y1voii

20. Acetamide, N-(1-adamantyl)-

21. 1-acetamidotricyclo[3.3.1.1(3,7)]decane

22. Mfcd00074730

23. Nsc527917

24. Acetamide,7]dec-1-yl-

25. N-acetyl-1-adamantanamine

26. N-acetyl Amantadine

27. N-tricyclo(3.3.1.13,7)dec-1-ylacetamide

28. 4-12-00-00220 (beilstein Handbook Reference)

29. Schembl133014

30. Dtxsid9061255

31. Schembl14283216

32. Schembl19757636

33. Amy22323

34. Zinc3860730

35. Stk355738

36. Akos000472072

37. Akos001064174

38. Ab02845

39. Ncgc00322546-01

40. Ac-16090

41. Db-003017

42. A0737

43. Cs-0159104

44. Ft-0629068

45. Acetamide, N-tricyclo[3.3.1.1]dec-1-yl-

46. Amantadine Related Compound B [usp-rs]

47. F15406

48. Ab00694312-03

49. 880a524

50. A842454

51. N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide

52. Acetamide, N-tricyclo[3.3.1.1~3,7~]dec-1-yl-

53. Amantadine Related Compound B [usp Impurity]

54. W-100421

55. W-200099

56. Acetamide, N-tricyclo[3.3.1.1(3,7)-]dec-1-yl-

57. Q27260972

58. Z27687036

59. Amantadine Hydrochloride Impurity B [ep Impurity]

60. N-(tricyclo(3.3.1.13,7)dec-1-yl)acetamide

61. Amantadine Related Compound B, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉NO
Molecular Weight	193.28 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	193.146664230 g/mol
Monoisotopic Mass	193.146664230 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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