2-(Octyloxy)-5-[(propan-2-yl)carbamoyl]benzoic acid
Basic information
- CAS
89366-43-8- Standard SMILES
CCCCCCCCOc1ccc(C(=O)NC(C)C)cc1C(=O)O- InChIKey
XAKXPEUIWPJMFR-UHFFFAOYSA-N- Molecular formula
- C19H29NO4
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.20965841
Names & identifiers
- Preferred name
- 2-(Octyloxy)-5-[(propan-2-yl)carbamoyl]benzoic acid
- IUPAC
- 2-octoxy-5-(propan-2-ylcarbamoyl)benzoic acid
Names & synonyms
89366-43-82-(Octyloxy)-5-[(propan-2-yl)carbamoyl]benzoic acidDTXSID70529632
Database identifiers
- CAS
89366-43-8- PubChem CID
- 13222811
- DTXSID
DTXSID70529632
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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