Nordihydrocapsaicin

Synopsis, Chemistry

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Also known as: 28789-35-7, N-(4-hydroxy-3-methoxybenzyl)-7-methyloctanamide, Nordihydrocapsacin, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide, Norhydrocapsaicin, Nordihydro capsaicin

Molecular Formula

C₁₇H₂₇NO₃

Molecular Weight

293.4 g/mol

InChI Key

VQEONGKQWIFHMN-UHFFFAOYSA-N

FDA UNII

RF657P8DA8

nordihydrocapsacin is a natural product found in Capsicum pubescens and Capsicum annuum with data available.

1 2D Structure

Nordihydrocapsaicin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide

2.1.2 InChI

InChI=1S/C17H27NO3/c1-13(2)7-5-4-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h9-11,13,19H,4-8,12H2,1-3H3,(H,18,20)

2.1.3 InChI Key

VQEONGKQWIFHMN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

2.2 Other Identifiers

2.2.1 UNII

RF657P8DA8

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 28789-35-7

2. N-(4-hydroxy-3-methoxybenzyl)-7-methyloctanamide

3. Nordihydrocapsacin

4. N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide

5. Norhydrocapsaicin

6. Nordihydro Capsaicin

7. Octanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyl-

8. 7-methyl Nordihydrocapsaicin

9. Rf657p8da8

10. Octanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-7-methyl-

11. N-((4-hydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide

12. N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyl-octanamide

13. Unii-rf657p8da8

14. Epa Pesticide Chemical Code 070707

15. Schembl117622

16. 7-methyl-n-vanillyl-octanamide

17. Dtxsid3042217

18. Chebi:174101

19. Cs-d1183

20. Hy-n0449

21. Zinc5757941

22. Akos026673998

23. Ac-34346

24. Octanamide, 7-methyl-n-vanillyl-

25. Ft-0688321

26. C20216

27. A876628

28. Q2286631

29. B2703-178278

30. Nordihydrocapsaicin (constituent Of Capsicum) [dsc]

31. N-((4-h Ydroxy-3-methoxyphenyl)methyl)-7-methyl-octanamide

32. N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methyloctanamide, 9ci

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₇NO₃
Molecular Weight	293.4 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	293.19909372 g/mol
Monoisotopic Mass	293.19909372 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	294
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