MolPort-001-498-683

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Also known as: 45267-19-4, N-(3-(dimethylamino)propyl)tetradecanamide, Aldox, Myristamidopropyl dimethylamine, N-[3-(dimethylamino)propyl]tetradecanamide, N-[3-(dimethylamino)propyl]myristamide

Molecular Formula

C₁₉H₄₀N₂O

Molecular Weight

312.5 g/mol

InChI Key

IFYDWYVPVAMGRO-UHFFFAOYSA-N

FDA UNII

YXS2X34V8W

1 2D Structure

MolPort-001-498-683

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-(dimethylamino)propyl]tetradecanamide

2.1.2 InChI

InChI=1S/C19H40N2O/c1-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(2)3/h4-18H2,1-3H3,(H,20,22)

2.1.3 InChI Key

IFYDWYVPVAMGRO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCC(=O)NCCCN(C)C

2.2 Other Identifiers

2.2.1 UNII

YXS2X34V8W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Aldox

2. M-dimethylamine

3. Madp Solution

4. Myristamidopropyl Dimethylamine

2.3.2 Depositor-Supplied Synonyms

1. 45267-19-4

2. N-(3-(dimethylamino)propyl)tetradecanamide

3. Aldox

4. Myristamidopropyl Dimethylamine

5. N-[3-(dimethylamino)propyl]tetradecanamide

6. N-[3-(dimethylamino)propyl]myristamide

7. Schercodine M

8. Dimethylaminopropyl Myristamide

9. N-(3-(dimethylamino)propyl)myristamide

10. Yxs2x34v8w

11. Tetradecanamide, N-(3-(dimethylamino)propyl)-

12. Mfcd02029644

13. Unii-yxs2x34v8w

14. M-dimethylamine

15. Madp Solution

16. Myristic 3-dimethylaminopropylamide

17. Einecs 256-214-1

18. Mapd

19. N,n-dimethyl-(3-tetradecylamidopropyl)amine

20. Schembl94326

21. Dtxsid2068470

22. Schercodine M Amido-amine

23. Stl377897

24. Zinc72399333

25. Akos003262148

26. N-(3-dimethylaminopropyl)tetradecanamide

27. Ac-36417

28. As-63490

29. Sy032069

30. Cs-0152224

31. Ft-0661482

32. Myristamidopropyl Dimethylamine [inci]

33. S10671

34. N,n-dimethyl-n'-tetradecanoyl-1,3-propylenediamine

35. Q27294767

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₄₀N₂O
Molecular Weight	312.5 g/mol
XLogP3	6.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	312.314063904 g/mol
Monoisotopic Mass	312.314063904 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	242
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)