Hydrocinnamic acid, p-(3-(N-ethylacetamido)-2,4,6-triiodobenzamido)-
Basic information
- CAS
22708-45-8- Standard SMILES
CCN(C(C)=O)c1c(I)cc(I)c(C(=O)Nc2ccc(CCC(=O)O)cc2)c1I- InChIKey
XWTKEJJYSRRQPC-UHFFFAOYSA-N- Molecular formula
- C20H19I3N2O4
- Average molar mass
- 732.1 g/mol
- Monoisotopic mass
- 731.8479
Names & identifiers
- Preferred name
- Hydrocinnamic acid, p-(3-(N-ethylacetamido)-2,4,6-triiodobenzamido)-
- IUPAC
- 3-[4-[[3-[acetyl(ethyl)amino]-2,4,6-triiodobenzoyl]amino]phenyl]propanoic acid
- English name
- 3-[4-[[3-(acetyl-ethyl-amino)-2,4,6-triiodo-benzoyl]amino]phenyl]propanoic acid
- Molecular formula
- C20H19I3N2O4
- Molecular weight
- 0
Names & synonyms
BRN 2919599Hydrocinnamic acid, p-(3-(N-ethylacetamido)-2,4,6-triiodobenzamido)-22708-45-8DTXSID10177237p-(3-(N-Ethylacetamido)-2,4,6-triiodobenzamido)hydrocinnamic acidBenzenepropanoic acid, 4-((3-(acetylethylamino)-2,4,6-triiodobenzoyl)amino)-beta-(4-(3-(N-Aethyl-acetylamino)-2,4,6-trijod-benzoylamino)-phenyl)-propionsaure [German]beta-(4-(3-(N-Aethyl-acetylamino)-2,4,6-trijod-benzoylamino)-phenyl)-propionsaureRefChem:348322DTXCID60997283-{4-[3-(N-Ethylacetamido)-2,4,6-triiodobenzamido]phenyl}propanoic acid3-[4-[[3-(acetyl-ethyl-amino)-2,4,6-triiodo-benzoyl]amino]phenyl]propanoic acid
Database identifiers
- CAS
22708-45-8- PubChem CID
- 64843
- DTXSID
DTXSID10177237
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 598
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…