Basic information
- Standard SMILES
CC(C)(Cc1ccc(O)cc1)NCC(=O)c1ccc(O)c(CC#N)c1- InChIKey
MDVZQWUIXYNGKG-UHFFFAOYSA-N- Molecular formula
- C20H22N2O3
- Average molar mass
- 338.4 g/mol
Names & identifiers
- Preferred name
- 5-[N-(1,1-dimethyl-2-p-hydroxyphenylethyl)glycyl]-2-hydroxyphenylacetonitrile
- IUPAC
- 2-[2-hydroxy-5-[2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]acetyl]phenyl]acetonitrile
Names & synonyms
SCHEMBL11553314MDVZQWUIXYNGKG-UHFFFAOYSA-N5-[N-(1,1-dimethyl-2-p-hydroxyphenylethyl)glycyl]-2-hydroxyphenylacetonitrile
Database identifiers
- PubChem CID
- 54067231
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Related reactions
3 records
Compound notes
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