Basic information
- Standard SMILES
CCOC(=O)C1(C)CCN1C(=O)Cc1cc(C)cc(C)c1- InChIKey
BLVUQAFFQPGZOU-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
Names & identifiers
- Preferred name
- 1-[2-(3,5-Dimethyl-phenyl)-acetyl]-2-methyl-azetidine-2-carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[2-(3,5-dimethylphenyl)acetyl]-2-methylazetidine-2-carboxylate
Names & synonyms
SCHEMBL11294385BLVUQAFFQPGZOU-UHFFFAOYSA-N1-[2-(3,5-dimethyl-phenyl)-acetyl]-2-methyl-azetidine-2-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 70556540
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Related reactions
2 records
Compound notes
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