2-cyano-N-(3,4-dimethoxybenzyl)acetamide
Basic information
- CAS
328384-64-1- Standard SMILES
COc1ccc(CNC(=O)CC#N)cc1OC- InChIKey
ZWQVTSBJNBMACY-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- 2-cyano-N-(3,4-dimethoxybenzyl)acetamide
- IUPAC
- 2-cyano-N-[(3,4-dimethoxyphenyl)methyl]acetamide
Names & synonyms
2-cyano-N-(3,4-dimethoxybenzyl)acetamide328384-64-12-cyano-N-[(3,4-dimethoxyphenyl)methyl]acetamideOprea1_243241SCHEMBL3437003ZWQVTSBJNBMACY-UHFFFAOYSA-NDTXSID001237709STK164621AKOS003244132ST009350N-[(3,4-dimethoxyphenyl)methyl]-2-cyanoacetamide
Database identifiers
- CAS
328384-64-1- PubChem CID
- 690677
- DTXSID
DTXSID001237709- Nikkaji
- J2.949.741I
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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