Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COC(=O)c1ccc(CN(CCC2CCCCC2)C(C)(C)C)cc1-c1ccccc1C- InChIKey
BIYRTWLBKVFZPK-UHFFFAOYSA-N- Molecular formula
- C28H39NO2
- Average molar mass
- 421.6 g/mol
Names & identifiers
- Preferred name
- 4-(N-t-Butyl-N-(2-cyclohexylethyl)aminomethyl)-2-(2-methylphenyl)benzoic acid methyl ester
- IUPAC
- methyl 4-[[tert-butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoate
Names & synonyms
SCHEMBL630166BIYRTWLBKVFZPK-UHFFFAOYSA-N4-(N-t-Butyl-N-(2-cyclohexylethyl)aminomethyl)-2-(2-methylphenyl)benzoic acid methyl ester
Database identifiers
- PubChem CID
- 20699863
Properties
Computed structural propertiesFilling in
- XLogP
- 7.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 548
Related reactions
2 records
Compound notes
Loading…