2-(Dibutylcarbamoyl)benzoic acid
Basic information
- CAS
20320-40-5- Standard SMILES
CCCCN(CCCC)C(=O)c1ccccc1C(=O)O- InChIKey
CCUXORLXCXIGTA-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Names & identifiers
- Preferred name
- 2-(Dibutylcarbamoyl)benzoic acid
- IUPAC
- 2-(dibutylcarbamoyl)benzoic acid
Names & synonyms
2-(dibutylcarbamoyl)benzoic acid20320-40-52-[(Dibutylamino)carbonyl]benzoic acidNSC 132593NSC132593phthalic acid N,N'-dibutylamideDTXSID602997712-(N,N-dibutylcarbamoyl)benzoic acidAKOS000569031NSC-132593ST061501
Database identifiers
- CAS
20320-40-5- PubChem CID
- 280678
- DTXSID
DTXSID60299771- Nikkaji
- J3.580.959G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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