Basic information
- Standard SMILES
COC(=O)c1cc(NC(=O)C(C)C)cc(-c2ccc(C)cc2)c1- InChIKey
JOOHVIHEVHNLFV-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- 5-Isobutyrylamino-4'-methyl-biphenyl-3-carboxylic acid methyl ester
- IUPAC
- methyl 3-(4-methylphenyl)-5-(2-methylpropanoylamino)benzoate
Names & synonyms
SCHEMBL2716139JOOHVIHEVHNLFV-UHFFFAOYSA-N5-isobutyrylamino-4'-methyl-biphenyl-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59627532
Properties
Computed structural properties
- XLogP
- 4
- 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
- 413
Related reactions
6 records
Compound notes
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