Basic information
- Standard SMILES
CCOC(=O)CC(=O)N1CC(Oc2ccccc2C(C)(C)C)C1- InChIKey
ASIUAYUOPRCSJV-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- Ethyl 3-(3-(2-tert-butylphenoxy)azetidin-1-yl)-3-oxopropanoate
- IUPAC
- ethyl 3-[3-(2-tert-butylphenoxy)azetidin-1-yl]-3-oxopropanoate
Names & synonyms
SCHEMBL3108285ASIUAYUOPRCSJV-UHFFFAOYSA-Nethyl 3-(3-(2-tert-butylphenoxy)azetidin-1-yl)-3-oxopropanoate
Database identifiers
- PubChem CID
- 59577290
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 423
Related reactions
4 records
Compound notes
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