Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)ethylamino)-4-oxo-
Basic information
- CAS
37938-74-2- Standard SMILES
CCOc1c(I)cc(I)c(N(CC)C(=O)CCC(=O)O)c1I- InChIKey
BADWYAWPESXCNB-UHFFFAOYSA-N- Molecular formula
- C14H16I3NO4
- Average molar mass
- 642.99 g/mol
- Monoisotopic mass
- 642.8214
Names & identifiers
- Preferred name
- Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)ethylamino)-4-oxo-
- IUPAC
- 4-(3-ethoxy-N-ethyl-2,4,6-triiodoanilino)-4-oxobutanoic acid
- English name
- 3-[[N-(3-Ethoxy-2,4,6-triiodophenyl)-N-ethylamino]carbonyl]propionic acid
- Molecular formula
- C14H16I3NO4
- Molecular weight
- 642.99
Names & synonyms
37938-74-23'-Ethoxy-N-ethyl-2',4',6'-triiodosuccinanilic acidDTXSID10191377Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)ethylamino)-4-oxo-Succinanilic acid, 3'-ethoxy-N-ethyl-2',4',6'-triiodo-RefChem:330830DTXCID20113868Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)ethylamino)-4-oxo-(9CI)4-[(3-ethoxy-2,4,6-triiodophenyl)(ethyl)amino]-4-oxobutanoic acidButanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)ethylamino)-4-oxo- (9CI)4-(3-ethoxy-N-ethyl-2,4,6-triiodoanilino)-4-oxobutanoic acidButanoic acid, 4-[(3-ethoxy-2,4,6-triiodophenyl)ethylamino]-4-oxo-
Show more names
3-[[N-(3-Ethoxy-2,4,6-triiodophenyl)-N-ethylamino]carbonyl]propionic acid
Database identifiers
- CAS
37938-74-2- PubChem CID
- 216978
- DTXSID
DTXSID10191377- Nikkaji
- J61.374F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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