N-(2-Cyanoethyl)-2-phenylacetamide
Basic information
- CAS
1135-21-3- Standard SMILES
N#CCCNC(=O)Cc1ccccc1- InChIKey
SRJDBVVMSWTABZ-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- N-(2-Cyanoethyl)-2-phenylacetamide
- IUPAC
- N-(2-cyanoethyl)-2-phenylacetamide
Names & synonyms
N-(2-Cyanoethyl)-2-phenylacetamide1135-21-3DTXSID90610798RefChem:360646DTXCID30561553SCHEMBL2850380AKOS008980727
Database identifiers
- CAS
1135-21-3- PubChem CID
- 21105083
- DTXSID
DTXSID90610798
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
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Compound notes
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