Basic information
- Standard SMILES
CCCN(CCC)C(=O)c1cc(CO)cc(C(=O)OCC)c1- InChIKey
RYJSUPFDQHFNTC-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-[(dipropylamino)carbonyl]-5-(hydroxymethyl)benzoate
- IUPAC
- ethyl 3-(dipropylcarbamoyl)-5-(hydroxymethyl)benzoate
Names & synonyms
SCHEMBL3353303RYJSUPFDQHFNTC-UHFFFAOYSA-Nethyl 3-[(dipropylamino)carbonyl]-5-(hydroxymethyl)benzoate
Database identifiers
- PubChem CID
- 21086103
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
10 records
Compound notes
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