1,1-dimethylethyl((1R)-2-methyl-1-{[(4-{[4-methyl-3-(methyloxy)phenyl]oxy}phenyl)amino]carbonyl}propyl)carbamate
Basic information
- Standard SMILES
COc1cc(Oc2ccc(NC(=O)[C@@H](C(C)C)N(C(=O)[O-])C(C)(C)C)cc2)ccc1C- InChIKey
WWBQKLMOXFUGCA-OAQYLSRUSA-M- Molecular formula
- C24H31N2O5-
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.22329709
Names & identifiers
- Preferred name
- 1,1-dimethylethyl((1R)-2-methyl-1-{[(4-{[4-methyl-3-(methyloxy)phenyl]oxy}phenyl)amino]carbonyl}propyl)carbamate
- IUPAC
- N-tert-butyl-N-[(2R)-1-[4-(3-methoxy-4-methylphenoxy)anilino]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
WWBQKLMOXFUGCA-OAQYLSRUSA-M1,1-dimethylethyl((1R)-2-methyl-1-{[(4-{[4-methyl-3-(methyloxy)phenyl]oxy}phenyl)amino]carbonyl}propyl)carbamate
Database identifiers
- PubChem CID
- 86673597
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- -1
- Complexity
- 590
Related reactions
1 records
Compound notes
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