Basic information
- Standard SMILES
CC1CC(C)(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)C2(C)CC(C)C2)C1- InChIKey
AFMWSCFCVWPOTG-UHFFFAOYSA-N- Molecular formula
- C26H39NO5
- Average molar mass
- 445.6 g/mol
- Monoisotopic mass
- 445.28282334
Names & identifiers
- Preferred name
- 3,4-Bis(1,3-dimethylcyclobutanecarbonyloxy)-alpha-(tert-butylaminomethyl)benzyl alcohol
- IUPAC
- [4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(1,3-dimethylcyclobutanecarbonyl)oxyphenyl] 1,3-dimethylcyclobutane-1-carboxylate
Names & synonyms
SCHEMBL11284848AFMWSCFCVWPOTG-UHFFFAOYSA-N3,4-bis(1,3-dimethylcyclobutanecarbonyloxy)-alpha-(tert-butylaminomethyl)benzyl alcohol
Database identifiers
- PubChem CID
- 53640189
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 687
Related reactions
3 records
Compound notes
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