CAS 25017-47-4

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Also known as: 25017-47-4, Urea, (3,4-dimethoxyphenethyl)-, N-[2-(3,4-dimethoxyphenyl)ethyl]urea, 4r2a6q2uzy, Urea, (2-(3,4-dimethoxyphenyl)ethyl)-, Nsc-27473

Molecular Formula

C₁₁H₁₆N₂O₃

Molecular Weight

224.26 g/mol

InChI Key

MDAOEGJTBPQGCB-UHFFFAOYSA-N

FDA UNII

4R2A6Q2UZY

1 2D Structure

CAS 25017-47-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-dimethoxyphenyl)ethylurea

2.1.2 InChI

InChI=1S/C11H16N2O3/c1-15-9-4-3-8(7-10(9)16-2)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)

2.1.3 InChI Key

MDAOEGJTBPQGCB-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

4R2A6Q2UZY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 25017-47-4

2. Urea, (3,4-dimethoxyphenethyl)-

3. N-[2-(3,4-dimethoxyphenyl)ethyl]urea

4. 4r2a6q2uzy

5. Urea, (2-(3,4-dimethoxyphenyl)ethyl)-

6. Nsc-27473

7. Dtxsid60179726

8. Refchem:1090923

9. Dtxcid20102217

10. 1-(3,4-dimethoxyphenethyl)urea

11. (3,4-dimethoxyphenethyl)urea

12. 2-(3,4-dimethoxyphenyl)ethylurea

13. Mfcd00238985

14. [2-(3,4-dimethoxyphenyl)ethyl]urea

15. Nsc 27473

16. Urea, (3,4-(dimethoxy)phenethyl)-

17. Brn 2736376

18. Nsc27473

19. Unii-4r2a6q2uzy

20. Oprea1_265284

21. 3-13-00-02222 (beilstein Handbook Reference)

22. Schembl8099685

23. Urea,4-(dimethoxy)phenethyl]-

24. Urea,4-dimethoxyphenyl)ethyl]-

25. Hms1666l11

26. Stk768624

27. Akos000161313

28. Ccg-252305

29. 1-[2-(3,4-dimethoxyphenyl)ethyl]urea

30. St039417

31. Sy318209

32. Cs-0328230

33. Eu-0086631

34. Amino-n-[2-(3,4-dimethoxyphenyl)ethyl]amide

35. H41594

36. Sr-01000539252

37. Sr-01000539252-1

38. Urea, N-(2-(3,4-dimethoxyphenyl)ethyl)-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆N₂O₃
Molecular Weight	224.26 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	73.6
Heavy Atom Count	16
Formal Charge	0
Complexity	223
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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