Ethyl 2-(3-propylaminopropanoylamino)benzoate
Basic information
- CAS
33717-43-0- Standard SMILES
CCCNCCC(=O)Nc1ccccc1C(=O)OCC- InChIKey
JYRPWIUVGWZADD-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3
- Average molar mass
- 278.35 g/mol
- Monoisotopic mass
- 278.16304257
Names & identifiers
- Preferred name
- Ethyl 2-(3-propylaminopropanoylamino)benzoate
- IUPAC
- ethyl 2-[3-(propylamino)propanoylamino]benzoate
Names & synonyms
33717-43-0ETHYL 2-(3-PROPYLAMINOPROPANOYLAMINO)BENZOATEDTXSID00328615Ethyl 2-[(N-propyl-beta-alanyl)amino]benzoate
Database identifiers
- CAS
33717-43-0- PubChem CID
- 412506
- DTXSID
DTXSID00328615
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 307
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Compound notes
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