Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1- InChIKey
XTUACXSSPSYPDF-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- Methyl 4-{[(4-tert-butylphenyl)amino]carbonyl}benzoate
- IUPAC
- methyl 4-[(4-tert-butylphenyl)carbamoyl]benzoate
Names & synonyms
SCHEMBL3882727XTUACXSSPSYPDF-UHFFFAOYSA-NAKOS001198320Z28272626Methyl 4-{[(4-tert-butylphenyl)amino]carbonyl}benzoate
Database identifiers
- PubChem CID
- 7913868
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Related reactions
6 records
Compound notes
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