Basic information
- Standard SMILES
CN(C)CCOCC(=O)CC(=O)OCCCc1ccccc1- InChIKey
NXRNXCDWJRJOKV-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- 3-phenylpropyl 4-(2-(N,N-dimethylamino)ethoxy)acetoacetate
- IUPAC
- 3-phenylpropyl 4-[2-(dimethylamino)ethoxy]-3-oxobutanoate
Names & synonyms
SCHEMBL7369908NXRNXCDWJRJOKV-UHFFFAOYSA-N3-phenylpropyl 4-(2-(N,N-dimethylamino)ethoxy)acetoacetate
Database identifiers
- PubChem CID
- 22005509
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Related reactions
1 records
Compound notes
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