Basic information
- Standard SMILES
CC(C)(C)c1cc(CCC(=O)NCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
VFZSOGUCJVHTEW-UHFFFAOYSA-N- Molecular formula
- C36H55NO5
- Average molar mass
- 581.8 g/mol
- Monoisotopic mass
- 581.40802385
Names & identifiers
- Preferred name
- 2-[3-(3,5-Ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- IUPAC
- 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Names & synonyms
2-[3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPANAMIDO]ETHYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPANOATE2-{[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]amino}ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoateVFZSOGUCJVHTEW-UHFFFAOYSA-NAH-034/32855041SCHEMBL11326596MFCD00601944AKOS0014835192-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoateSR-01000389737SR-01000389737-12-({3-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoyl}amino)ethyl 3-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]propanoate2-[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamido]ethyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
Database identifiers
- PubChem CID
- 5239119
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 823
Related reactions
2 records
Compound notes
Loading…