Methyl 3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoate
Basic information
- CAS
524928-41-4- Standard SMILES
CCOc1cc(C=C(C#N)C(=O)OC)ccc1OCC(N)=O- InChIKey
KFRCGPOBERQFPS-UHFFFAOYSA-N- Molecular formula
- C15H16N2O5
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.10592162
Names & identifiers
- Preferred name
- Methyl 3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoate
- IUPAC
- methyl 3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoate
Names & synonyms
methyl 3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-2-cyanoprop-2-enoateDTXSID201155288Methyl 3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-2-cyano-2-propenoate524928-41-4
Database identifiers
- CAS
524928-41-4- PubChem CID
- 4409809
- DTXSID
DTXSID201155288
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 480
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Compound notes
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