5-N,N-Dibenzylglycyl-Salicylamide

Synopsis, Chemistry

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Also known as: 30566-92-8, 5-(n,n-dibenzylglycyl)salicylamide, 5-[2-(dibenzylamino)acetyl]-2-hydroxybenzamide, 5-((bis(benzyl)amino)acetyl)salicylamide, Einecs 250-244-9, Ec 250-244-9

Molecular Formula

C₂₃H₂₂N₂O₃

Molecular Weight

374.4 g/mol

InChI Key

DNLPQXRWAKCKPX-UHFFFAOYSA-N

1 2D Structure

5-N,N-Dibenzylglycyl-Salicylamide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[2-(dibenzylamino)acetyl]-2-hydroxybenzamide

2.1.2 InChI

InChI=1S/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28)

2.1.3 InChI Key

DNLPQXRWAKCKPX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(=O)C3=CC(=C(C=C3)O)C(=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 30566-92-8

2. 5-(n,n-dibenzylglycyl)salicylamide

3. 5-[2-(dibenzylamino)acetyl]-2-hydroxybenzamide

4. 5-((bis(benzyl)amino)acetyl)salicylamide

5. Einecs 250-244-9

6. Ec 250-244-9

7. Mls006010007

8. Schembl11197070

9. Amy8802

10. Dtxsid40184651

11. 5-(n,n-dibenzylglcyl)salicylamide

12. 5-(n,n-dibenzylglycyl) Salicylamide

13. Zinc19943219

14. 5-(dibenzylglycyl)-2-hydroxybenzamide

15. Akos015901102

16. Sb83717

17. Dibenzylamino)acetyl)-2-hydroxybenzamide

18. 5-[2-(dibenzylamino)acetyl]salicylamide

19. Smr004701089

20. Cs-0450761

21. Ft-0619916

22. W-106934

23. 5-[[bis(phenylmethyl)amino]acetyl]-2-hydroxybenzamide

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₂N₂O₃
Molecular Weight	374.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	374.16304257 g/mol
Monoisotopic Mass	374.16304257 g/mol
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	492
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