Pyrrolidine, 1-(p-acetoxyphenethyl)-3-(m-acetoxyphenyl)-3-neopentyl-
Basic information
- CAS
38906-57-9- Standard SMILES
CC(=O)Oc1ccc(CCN2CCC(CC(C)(C)C)(c3cccc(OC(C)=O)c3)C2)cc1- InChIKey
CTZPDWOJQSIKRZ-UHFFFAOYSA-N- Molecular formula
- C27H35NO4
- Average molar mass
- 437.6 g/mol
- Monoisotopic mass
- 437.2566086
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(p-acetoxyphenethyl)-3-(m-acetoxyphenyl)-3-neopentyl-
- IUPAC
- [4-[2-[3-(3-acetyloxyphenyl)-3-(2,2-dimethylpropyl)pyrrolidin-1-yl]ethyl]phenyl] acetate
Names & synonyms
38906-57-9BRN 15155941-(p-Acetoxyphenethyl)-3-(m-acetoxyphenyl)-3-neopentylpyrrolidinePyrrolidine, 1-(p-acetoxyphenethyl)-3-(m-acetoxyphenyl)-3-neopentyl-RefChem:3780423-(1-(4-Acetoxyphenethyl)-3-neopentylpyrrolidin-3-yl)phenyl acetateDTXSID509596754-(2-{3-[3-(Acetyloxy)phenyl]-3-(2,2-dimethylpropyl)pyrrolidin-1-yl}ethyl)phenyl acetate
Database identifiers
- CAS
38906-57-9- PubChem CID
- 217417
- DTXSID
DTXSID50959675- Nikkaji
- J51.433K
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 634
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Compound notes
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