N-[2-[4-(Acetyloxy)-3-methoxyphenyl]-1-cyano-1-methylethyl]acetamide - CAS 15073-74-2
Catalog: |
BB075427 |
Product Name: |
N-[2-[4-(Acetyloxy)-3-methoxyphenyl]-1-cyano-1-methylethyl]acetamide |
CAS: |
15073-74-2 |
Synonyms: |
DL-N-(α-cyano-4-hydroxy-3-methoxy-α-methylphenethyl)acetamide Acetate |
IUPAC Name: | [4-(2-acetamido-2-cyanopropyl)-2-methoxyphenyl] acetate |
Description: | N-[2-[4-(Acetyloxy)-3-methoxyphenyl]-1-cyano-1-methylethyl]acetamide is an intermediate in the synthesis of L-α-methyldopa. |
Molecular Weight: | 290.31 |
Molecular Formula: | C15H18N2O4 |
Canonical SMILES: | CC(=O)NC(C)(CC1=CC(=C(C=C1)OC(=O)C)OC)C#N |
InChI: | InChI=1S/C15H18N2O4/c1-10(18)17-15(3,9-16)8-12-5-6-13(21-11(2)19)14(7-12)20-4/h5-7H,8H2,1-4H3,(H,17,18) |
InChI Key: | MFCUCUPDQICTEY-UHFFFAOYSA-N |
References: | Reinhold, D.F.,et al. J. Org. Chem., 33, 1209 (1968). |
Complexity: | 442 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.12665706 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.12665706 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 88.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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