Basic information
- CAS
24340-26-9- Standard SMILES
CCCC(=O)N(CC)c1c(I)cc(I)c(OC(CC)C(=O)O)c1I- InChIKey
PYSYKXNHLJWPJZ-UHFFFAOYSA-N- Molecular formula
- C16H20I3NO4
- Average molar mass
- 671.05 g/mol
- Monoisotopic mass
- 670.8527
Names & identifiers
- Preferred name
- Butyric acid, 2-(3-(N-ethylbutyramido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[butanoyl(ethyl)amino]-2,4,6-triiodophenoxy]butanoic acid
- English name
- 2-[3-(N-Ethylbutyrylamino)-2,4,6-triiodophenoxy]butyric acid
- Molecular formula
- C16H20I3NO4
- Molecular weight
- 671.05
Names & synonyms
BRN 267776924340-26-92-(3-(N-Ethylbutyramido)-2,4,6-triiodophenoxy)butyric acidBUTYRIC ACID, 2-(3-(N-ETHYLBUTYRAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:331240DTXSID009471832-[3-(N-ethylbutanamido)-2,4,6-triiodophenoxy]butanoic acid2-{3-[Butanoyl(ethyl)amino]-2,4,6-triiodophenoxy}butanoic acid2-[3-(N-Ethylbutyrylamino)-2,4,6-triiodophenoxy]butyric acidButanoic acid, 2-[3-[ethyl(1-oxobutyl)amino]-2,4,6-triiodophenoxy]-
Database identifiers
- CAS
24340-26-9- PubChem CID
- 32304
- DTXSID
DTXSID00947183- Nikkaji
- J65.891J
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…