AWOPBSAJHCUSAS-UHFFFAOYSA-N

Chemistry

Chemistry

Also known as: 1469924-27-3, 3-(4'-(dimethylamino)-[1,1'-biphenyl]-3-yl)-1,1-dimethylurea, Chembl3823931, Mfcd28009494, 3-(4'-(dimethylamino)biphenyl-3-yl)-1,1-dimethylurea, 3-[4'-(dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea

Molecular Formula

C₁₇H₂₁N₃O

Molecular Weight

283.37 g/mol

InChI Key

AWOPBSAJHCUSAS-UHFFFAOYSA-N

1 2D Structure

AWOPBSAJHCUSAS-UHFFFAOYSA-N

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea

2.1.2 InChI

InChI=1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)

2.1.3 InChI Key

AWOPBSAJHCUSAS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)N(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1469924-27-3

2. 3-(4'-(dimethylamino)-[1,1'-biphenyl]-3-yl)-1,1-dimethylurea

3. Chembl3823931

4. Mfcd28009494

5. 3-(4'-(dimethylamino)biphenyl-3-yl)-1,1-dimethylurea

6. 3-[4'-(dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea

7. 3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea

8. Schembl15186954

9. Atglistatin, >=98% (hplc)

10. Ex-a293

11. Hms3653a18

12. Hms3744a05

13. Bcp27988

14. Bdbm50185419

15. S7364

16. Zinc96032874

17. Akos026750242

18. Ccg-267281

19. Ncgc00371133-07

20. Ncgc00371133-10

21. Ac-35213

22. As-16730

23. Da-35318

24. Hy-15859

25. Sy038696

26. Ft-0700208

27. Sw220102-1

28. A884474

29. Sr-03000003442

30. J-690187

31. Sr-03000003442-1

32. 2-[(n-benzyl-l-phenylalanyl)amino]-5-iodobenzoic Acid

33. Urea, N'-[4'-(dimethylamino)[1,1'-biphenyl]-3-yl]-n,n-dimethyl-

34. 3-[4 Inverted Exclamation Mark -(dimethylamino)-biphenyl-3-yl]-1,1-dimethylurea

2.3 Create Date

2013-09-17

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₁N₃O
Molecular Weight	283.37 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	283.168462302 g/mol
Monoisotopic Mass	283.168462302 g/mol
Topological Polar Surface Area	35.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	335
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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