Basic information
- Standard SMILES
CCCN(CC)C(=O)c1cc(I)cc(C(=O)OC)c1- InChIKey
DLWKPGPANKIWOX-UHFFFAOYSA-N- Molecular formula
- C14H18INO3
- Average molar mass
- 375.2 g/mol
Names & identifiers
- Preferred name
- Methyl 3-{[ethyl(propyl)amino]carbonyl}-5-iodobenzoate
- IUPAC
- methyl 3-[ethyl(propyl)carbamoyl]-5-iodobenzoate
Names & synonyms
SCHEMBL3352229DLWKPGPANKIWOX-UHFFFAOYSA-NMethyl 3-{[ethyl(propyl)amino]carbonyl}-5-iodobenzoate
Database identifiers
- PubChem CID
- 21086183
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 322
Related reactions
6 records
Compound notes
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