Basic information
- Standard SMILES
COCCCCC(O)(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)C1- InChIKey
SDFLRRHKRGOMQT-UHFFFAOYSA-N- Molecular formula
- C21H33NO4
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.24095853
Names & identifiers
- Preferred name
- Tert-butyl 3-(1-hydroxy-5-methoxy-1-phenylpentyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(1-hydroxy-5-methoxy-1-phenylpentyl)pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL970124SDFLRRHKRGOMQT-UHFFFAOYSA-Ntert-butyl 3-(1-hydroxy-5-methoxy-1-phenylpentyl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 57786486
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 442
Related reactions
4 records
Compound notes
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