N-{3-[(2E)-3-(Dimethylamino)prop-2-enoyl]phenyl}acetamide - CAS 96605-61-7
Catalog: |
BB050042 |
Product Name: |
N-{3-[(2E)-3-(Dimethylamino)prop-2-enoyl]phenyl}acetamide |
CAS: |
96605-61-7 |
Synonyms: |
N-[3-(3-Dimethylamino-1-oxo-2-propenyl)phenyl]acetamide; (E)-N-(3-(3-(Dimethylamino)acryloyl)phenyl)acetamide; N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]acetamide |
Application: |
Intermediate in the preparation of Zaleplon |
IUPAC Name: | N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide |
Description: | Intermediate in the preparation of Zaleplon. |
Molecular Weight: | 232.28 |
Molecular Formula: | C13H16N2O2 |
Canonical SMILES: | CC(=O)NC1=CC=CC(=C1)C(=O)C=CN(C)C |
InChI: | InChI=1S/C13H16N2O2/c1-10(16)14-12-6-4-5-11(9-12)13(17)7-8-15(2)3/h4-9H,1-3H3,(H,14,16)/b8-7+ |
InChI Key: | AIWCFDGABJPHDI-BQYQJAHWSA-N |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 232.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.121177757 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 49.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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