Basic information
- Standard SMILES
CCOCCC(=O)Nc1cccc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCCOCc3ccccc3OC)cc2)c1- InChIKey
RCRWQAIDGTUCSD-UHFFFAOYSA-N- Molecular formula
- C39H52N2O8
- Average molar mass
- 676.8 g/mol
- Monoisotopic mass
- 676.37236662
Names & identifiers
- Preferred name
- tert-Butyl 3-[3-(3-ethoxypropionylamino)benzyloxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[3-(3-ethoxypropanoylamino)phenyl]methoxy]-4-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3078625RCRWQAIDGTUCSD-UHFFFAOYSA-Ntert-Butyl 3-[3-(3-ethoxypropionylamino)benzyloxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 68503565
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 19
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 952
Related reactions
3 records
Compound notes
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