Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)methylamino)-4-oxo-
Basic information
- CAS
37938-65-1- Standard SMILES
CCOc1c(I)cc(I)c(N(C)C(=O)CCC(=O)O)c1I- InChIKey
SCPFWZCJUMXPGC-UHFFFAOYSA-N- Molecular formula
- C13H14I3NO4
- Average molar mass
- 628.97 g/mol
- Monoisotopic mass
- 628.8057
Names & identifiers
- Preferred name
- Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)methylamino)-4-oxo-
- IUPAC
- 4-(3-ethoxy-2,4,6-triiodo-N-methylanilino)-4-oxobutanoic acid
- English name
- 3-[[N-(3-Ethoxy-2,4,6-triiodophenyl)-N-methylamino]carbonyl]propionic acid
- Molecular formula
- C13H14I3NO4
- Molecular weight
- 628.97
Names & synonyms
37938-65-13'-Ethoxy-N-methyl-2',4',6'-triiodosuccinanilic acidDTXSID30191374Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)methylamino)-4-oxo-Succinanilic acid, 3'-ethoxy-N-methyl-2',4',6'-triiodo-RefChem:330831DTXCID40113865Butanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)methylamino)-4-oxo-(9CI)4-[(3-ethoxy-2,4,6-triiodophenyl)(methyl)amino]-4-oxobutanoic acidButanoic acid, 4-((3-ethoxy-2,4,6-triiodophenyl)methylamino)-4-oxo- (9CI)WM442000Butanoic acid, 4-[(3-ethoxy-2,4,6-triiodophenyl)methylamino]-4-oxo-
Show more names
3-[[N-(3-Ethoxy-2,4,6-triiodophenyl)-N-methylamino]carbonyl]propionic acid
Database identifiers
- CAS
37938-65-1- PubChem CID
- 216975
- DTXSID
DTXSID30191374- Nikkaji
- J61.375D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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