N-(4-Methoxybenzyl)acetoacetamide - CAS 51719-12-1
Catalog: |
BB058949 |
Product Name: |
N-(4-Methoxybenzyl)acetoacetamide |
CAS: |
51719-12-1 |
Synonyms: |
N-(4-Methoxybenzyl)Acetoacetamide; N-[(4-methoxyphenyl)methyl]-3-oxobutanamide |
IUPAC Name: | N-[(4-methoxyphenyl)methyl]-3-oxobutanamide |
Description: | N-(4-Methoxybenzyl)acetoacetamide can be used for antiinflammatory activity. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | CC(=O)CC(=O)NCC1=CC=C(C=C1)OC |
InChI: | InChI=1S/C12H15NO3/c1-9(14)7-12(15)13-8-10-3-5-11(16-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,13,15) |
InChI Key: | UAKPKZKOIQYSJW-UHFFFAOYSA-N |
References: | Pierce, J.B., et.al. J Med Chem, 25, 2, 131-136, (1982). |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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