Benzyl {1-(4-bromobenzyl)-2-[(2-hydroxy-4,4-dimethylhexyl)amino]-2-oxoethyl}carbamate
Basic information
- Standard SMILES
CCC(C)(C)CC(O)CNC(=O)C(Cc1ccc(Br)cc1)NC(=O)OCc1ccccc1- InChIKey
LOPGLRUTZBZCSG-UHFFFAOYSA-N- Molecular formula
- C25H33BrN2O4
- Average molar mass
- 505.4 g/mol
- Monoisotopic mass
- 504.16237
Names & identifiers
- Preferred name
- Benzyl {1-(4-bromobenzyl)-2-[(2-hydroxy-4,4-dimethylhexyl)amino]-2-oxoethyl}carbamate
- IUPAC
- benzyl N-[3-(4-bromophenyl)-1-[(2-hydroxy-4,4-dimethylhexyl)amino]-1-oxopropan-2-yl]carbamate
Names & synonyms
LOPGLRUTZBZCSG-UHFFFAOYSA-Nbenzyl {1-(4-bromobenzyl)-2-[(2-hydroxy-4,4-dimethylhexyl)amino]-2-oxoethyl}carbamate
Database identifiers
- PubChem CID
- 86637795
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 572
Related reactions
6 records
Compound notes
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