CAS 19982-07-1

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Also known as: 19982-07-1, N-(3,5-dimethyl-1-adamantyl)acetamide, 1-actamido-3,5-dimethyladmantane, N-acetylmemantine, Acetamide, n-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-, 1-acetamido-3,5-dimethyladamantane

Molecular Formula

C₁₄H₂₃NO

Molecular Weight

221.34 g/mol

InChI Key

WVIRSYCDAYUOMJ-UHFFFAOYSA-N

1 2D Structure

CAS 19982-07-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(3,5-dimethyl-1-adamantyl)acetamide

2.1.2 InChI

InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)

2.1.3 InChI Key

WVIRSYCDAYUOMJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 19982-07-1

2. N-(3,5-dimethyl-1-adamantyl)acetamide

3. 1-actamido-3,5-dimethyladmantane

4. N-acetylmemantine

5. Acetamide, N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)-

6. 1-acetamido-3,5-dimethyladamantane

7. 1-acetamido-3,5-dimethyladmantane

8. N-acetyl-memantine

9. N-acetyl-3,5-dimethyl-1-adamantanamine

10. Schembl733617

11. Dtxsid30414994

12. 3,5-dimethyladamantan-1-ylacetamine

13. L-acetylamino-3,5-dimethyladamantane

14. Mfcd06656139

15. Stl452976

16. Akos015918130

17. Ds-7807

18. Cs-0154021

19. Ft-0656446

20. A814130

21. W-201750

22. 3,5-dimethyltricyclo[3.3.1.13,7]decan-1-acetamine

23. N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)acetamide

24. N-(3,5-dimethyltricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide

25. Acetamide, N-(3,5-dimethyltricyclo[3.3.1.1~3,7~]dec-1-yl)-

2.3 Create Date

2005-10-07

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₃NO
Molecular Weight	221.34 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	221.177964357 g/mol
Monoisotopic Mass	221.177964357 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1