Basic information
- CAS
89573-90-0- Standard SMILES
CCCC(=O)Nc1ccc(OC(=O)CCC)cc1- InChIKey
KJGPWHDSOIETQX-UHFFFAOYSA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- 4-(Butyrylamino)phenyl butyrate
- IUPAC
- [4-(butanoylamino)phenyl] butanoate
Names & synonyms
4-(Butyrylamino)phenyl butyrate89573-90-0DTXSID20341462RefChem:288661DTXCID402925434-BUTANAMIDOPHENYL BUTANOATESCHEMBL9390731KJGPWHDSOIETQX-UHFFFAOYSA-N4-(Butyrylamino)phenyl butyrate #butyric acid [4-(butanoylamino)-phenyl] esterButanoic acid, 4-[1-(oxobutyl)amino]phenyl ester
Database identifiers
- CAS
89573-90-0- PubChem CID
- 573261
- DTXSID
DTXSID20341462- Nikkaji
- J607.817F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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