3-Acetamido-N-ethyl-N-cyanoethylaniline
Basic information
- CAS
67080-60-8- Standard SMILES
CCN(CCC#N)c1cccc(NC(C)=O)c1- InChIKey
WTEINCFQQDGGPB-UHFFFAOYSA-N- Molecular formula
- C13H17N3O
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.13716217
Names & identifiers
- Preferred name
- 3-Acetamido-N-ethyl-N-cyanoethylaniline
- IUPAC
- N-[3-[2-cyanoethyl(ethyl)amino]phenyl]acetamide
- English name
- 3-acetamido-N-ethyl-N-cyanoethylaniline
- Molecular formula
- C13H17N3O
- Molecular weight
- 231.29
Names & synonyms
3-ACETAMIDO-N-ETHYL-N-CYANOETHYLANILINE67080-60-8N-[3-[2-cyanoethyl(ethyl)amino]phenyl]acetamideN-{3-[(2-Cyanoethyl)(ethyl)amino]phenyl}acetamideSCHEMBL11073915DTXSID60545407Acetamide, N-[3-[(2-cyanoethyl)ethylamino]phenyl]-
Database identifiers
- CAS
67080-60-8- PubChem CID
- 13628637
- DTXSID
DTXSID60545407- Nikkaji
- J28.792J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Chemistry & industry
Upstream & downstream products
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Compound notes
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