4-[[4-(4-Methylpentanoylamino)phenyl]methyl]benzoic acid
Basic information
- CAS
7377-07-3- Standard SMILES
CC(C)CCC(=O)Nc1ccc(Cc2ccc(C(=O)O)cc2)cc1- InChIKey
DGAIDIDVAVXGPO-UHFFFAOYSA-N- Molecular formula
- C20H23NO3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.1677936
Names & identifiers
- Preferred name
- 4-[[4-(4-Methylpentanoylamino)phenyl]methyl]benzoic acid
- IUPAC
- 4-[[4-(4-methylpentanoylamino)phenyl]methyl]benzoic acid
Names & synonyms
7377-07-34-[[4-(4-methylpentanoylamino)phenyl]methyl]benzoic acidNSC211024DTXSID50309070NSC-2110244-{[4-(4-Methylpentanamido)phenyl]methyl}benzoic acid
Database identifiers
- CAS
7377-07-3- PubChem CID
- 308906
- DTXSID
DTXSID50309070
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 405
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Compound notes
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