Basic information
- Standard SMILES
Cc1ccc(-c2cc(C(=O)O)cc(N(C)C(=O)C(C)C)c2)cc1- InChIKey
HHCGQMZGHUHJKA-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- 5-(Isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid
- IUPAC
- 3-[methyl(2-methylpropanoyl)amino]-5-(4-methylphenyl)benzoic acid
Names & synonyms
SCHEMBL2716487HHCGQMZGHUHJKA-UHFFFAOYSA-N5-(isobutyryl-methyl-amino)-4'-methyl-biphenyl-3-carboxylic acid
Database identifiers
- PubChem CID
- 59627534
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 426
Related reactions
3 records
Compound notes
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