N-(2-Dimethylamino-ethyl)-2-(3-hydroxy-2,4,6-triiodo-benzyl)-butyramide
Basic information
- CAS
883802-01-5- Standard SMILES
CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)NCCN(C)C- InChIKey
DUQKILBCGOSYPZ-UHFFFAOYSA-N- Molecular formula
- C15H21I3N2O2
- Average molar mass
- 642.05 g/mol
- Monoisotopic mass
- 641.8737
Names & identifiers
- Preferred name
- N-(2-Dimethylamino-ethyl)-2-(3-hydroxy-2,4,6-triiodo-benzyl)-butyramide
- IUPAC
- N-[2-(dimethylamino)ethyl]-2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanamide
Names & synonyms
SCHEMBL19379575AKOS024422432N-(2-DIMETHYLAMINO-ETHYL)-2-(3-HYDROXY-2,4,6-TRIIODO-BENZYL)-BUTYRAMIDE
Database identifiers
- CAS
883802-01-5- PubChem CID
- 3554100
- EC Number
- 167-630-7
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
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