MolPort-001-011-875

Synopsis, Chemistry

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Also known as: N-(2-hydroxyethyl)cinnamamide, 6961-46-2, Brolitene, Srilane, Lcb 29, 2-propenamide, n-(2-hydroxyethyl)-3-phenyl-

Molecular Formula

C₁₁H₁₃NO₂

Molecular Weight

191.23 g/mol

InChI Key

OSCTXCOERRNGLW-VOTSOKGWSA-N

FDA UNII

6C816LUB1O

idrocilamide is a natural product found in Erythrophleum chlorostachys with data available.

1 2D Structure

MolPort-001-011-875

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide

2.1.2 InChI

InChI=1S/C11H13NO2/c13-9-8-12-11(14)7-6-10-4-2-1-3-5-10/h1-7,13H,8-9H2,(H,12,14)/b7-6+

2.1.3 InChI Key

OSCTXCOERRNGLW-VOTSOKGWSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C=CC(=O)NCCO

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCCO

2.2 Other Identifiers

2.2.1 UNII

6C816LUB1O

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Brolitene

2. Lcb 29

3. N-(2-hydroxyethyl)cinnamide

4. Srilane

2.3.2 Depositor-Supplied Synonyms

1. N-(2-hydroxyethyl)cinnamamide

2. 6961-46-2

3. Brolitene

4. Srilane

5. Lcb 29

6. 2-propenamide, N-(2-hydroxyethyl)-3-phenyl-

7. 35241-61-3

8. (e)-n-(2-hydroxyethyl)-3-phenylprop-2-enamide

9. N-(hydroxy-2 Ethyl)cinnamamide

10. Cinnamamide, N-(2-hydroxyethyl)-

11. Nsc-44979

12. Nsc-58207

13. Nsc-63229

14. N-(2-hydroxyethyl)cinnamide

15. 6c816lub1o

16. (2e)-n-(2-hydroxyethyl)-3-phenylprop-2-enamide

17. Idrocilamide (inn)

18. Ncgc00164510-01

19. Ncgc00164510-02

20. N-(2-hydroxyethyl)-3-phenyl-2-propenamide

21. Idrocilamide [inn]

22. Wln: Q2mv1u1r

23. Dsstox_cid_26404

24. Dsstox_rid_81584

25. Dsstox_gsid_46404

26. Idrocilamidum [inn-latin]

27. (2e)-n-(2-hydroxyethyl)-3-phenylprop-2-enamide, E

28. Idrocilamida

29. Idrocilamidum

30. Idrocilamide [inn:dcf]

31. Idrocilamida [inn-spanish]

32. Cas-6961-46-2

33. Lcb. 29

34. (e)-n-(2-hydroxyethyl)cinnamamid

35. Einecs 230-155-1

36. Nsc 44979

37. Nsc 58207

38. Nsc 63229

39. Unii-6c816lub1o

40. N-(hydroxy-2 Ethyl)cinnamamide [french]

41. Srilane (tn)

42. (z)-n-(2-hydroxyethyl)-3-phenylacrylamide

43. Idrocilamide [mi]

44. Idrocilamide [mart.]

45. Idrocilamide [who-dd]

46. Chembl102358

47. Lcb-29

48. Schembl1171234

49. Schembl1171237

50. Schembl8090977

51. Chebi:134842

52. Hms1580p20

53. Ex-a1480

54. Nsc44979

55. Nsc58207

56. Nsc63229

57. Zinc1677143

58. Tox21_112145

59. Stk429148

60. Akos003239171

61. Akos025149236

62. Tox21_112145_1

63. Db13297

64. N-(2-hydroxyethyl)-3-phenylprop-2-enamide

65. (2e)-n-(2-hydroxyethyl)-3-phenylacrylamide

66. C13775

67. D08063

68. 961i462

69. A846450

70. W-104614

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₃NO₂
Molecular Weight	191.23 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	191.094628657 g/mol
Monoisotopic Mass	191.094628657 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	196
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