Basic information
- Standard SMILES
COc1ccc(CC(=O)N(Cc2cccc(Br)c2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
IKXUKZKYAMFLNL-UHFFFAOYSA-N- Molecular formula
- C26H33BrN2O4
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 516.16237
Names & identifiers
- Preferred name
- N-((3-bromophenyl)methyl)-N-(1-(tert-butyloxycarbonyl)piperidin-4-yl)-4-methoxyphenylacetamide
- IUPAC
- tert-butyl 4-[(3-bromophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4208221IKXUKZKYAMFLNL-UHFFFAOYSA-NN-((3-bromophenyl)methyl)-N-(1-(tert-butyloxycarbonyl)piperidin-4-yl)-4-methoxyphenylacetamide
Database identifiers
- PubChem CID
- 22643473
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 637
Related reactions
4 records
Compound notes
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