Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(CNCCc2ccccc2OCc2ccc(CCc3ccccc3)cc2)cc1- InChIKey
FJQNMIJXLGWKFQ-UHFFFAOYSA-N- Molecular formula
- C35H39NO3
- Average molar mass
- 521.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-({[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}-methyl)benzoate
- IUPAC
- tert-butyl 4-[[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethylamino]methyl]benzoate
Names & synonyms
SCHEMBL2995379FJQNMIJXLGWKFQ-UHFFFAOYSA-NTert-butyl 4-({[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}-methyl)benzoate
Database identifiers
- PubChem CID
- 22015019
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
Loading…