Basic information
- Standard SMILES
CCN(C(=O)C(C)C)c1cc(C(=O)OC)cc(-c2ccc(C)cc2)c1- InChIKey
JSBKVNZETKYSIU-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- 5-(Ethyl-isobutyryl-amino)-4'-methyl-biphenyl-3-carboxylic acid methyl ester
- IUPAC
- methyl 3-[ethyl(2-methylpropanoyl)amino]-5-(4-methylphenyl)benzoate
Names & synonyms
SCHEMBL2718451JSBKVNZETKYSIU-UHFFFAOYSA-N5-(ethyl-isobutyryl-amino)-4'-methyl-biphenyl-3-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 59627527
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
6 records
Compound notes
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