Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-
Basic information
- CAS
29193-37-1- Standard SMILES
CCCC(=O)N(C)c1c(I)cc(I)c(CC(=O)O)c1I- InChIKey
QCDXRJMPYFIKEH-UHFFFAOYSA-N- Molecular formula
- C13H14I3NO3
- Average molar mass
- 612.97 g/mol
- Monoisotopic mass
- 612.8108
Names & identifiers
- Preferred name
- Acetic acid, (3-(N-methylbutyramido)-2,4,6-triiodophenyl)-
- IUPAC
- 2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid
- English name
- [2,4,6-Triiodo-3-(N-methylbutyrylamino)phenyl]acetic acid
- Molecular weight
- 0
Names & synonyms
BRN 3003896ACETIC ACID, (3-(N-METHYLBUTYRAMIDO)-2,4,6-TRIIODOPHENYL)-29193-37-1(3-(N-Methylbutyramido)-2,4,6-triiodophenyl)acetic acidDTXSID30183451RefChem:316190DTXCID40105942[2,4,6-Triiodo-3-(N-methylbutanamido)phenyl]acetic acid[2,4,6-Triiodo-3-(N-methylbutyrylamino)phenyl]acetic acid
Database identifiers
- CAS
29193-37-1- PubChem CID
- 34502
- DTXSID
DTXSID30183451- Nikkaji
- J54.950I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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