Basic information
- Standard SMILES
CCC(CC)C(N)=O.CCCCCCCC(=O)c1ccc(CCOC(=O)CC(=O)[O-])cc1- InChIKey
KQWGCPMOISWLPL-UHFFFAOYSA-M- Molecular formula
- C25H38NO6-
- Average molar mass
- 448.6 g/mol
Names & identifiers
- Preferred name
- Diethyl acetamide 2-(4-octanoyl phenyl)ethyl malonate
- IUPAC
- 2-ethylbutanamide;3-[2-(4-octanoylphenyl)ethoxy]-3-oxopropanoate
Names & synonyms
KQWGCPMOISWLPL-UHFFFAOYSA-Mdiethyl acetamide 2-(4-octanoyl phenyl)ethyl malonate
Database identifiers
- PubChem CID
- 86757349
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 32
- Formal charge
- -1
- Complexity
- 468
Related reactions
5 records
Compound notes
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