tert.butyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate
Basic information
- Standard SMILES
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)OC(C)(C)C- InChIKey
GNKSCSOCUXTUOS-SANMLTNESA-N- Molecular formula
- C31H44N2O4
- Average molar mass
- 508.7 g/mol
Names & identifiers
- Preferred name
- tert.butyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate
- IUPAC
- tert-butyl 2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoate
Names & synonyms
GNKSCSOCUXTUOS-SANMLTNESA-Ntert.butyl (S)-2-ethoxy-4-[N-(1-(2-piperidino-phenyl)-3-methyl-1-butyl)-aminocarbonylmethyl]-benzoate
Database identifiers
- PubChem CID
- 53472587
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 712
Related reactions
4 records
Compound notes
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