magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)

C24H20I6MgN4O8 — CID 57375686

IUPACmagnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)
SMILESCC(=O)CNc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.CC(=O)CNc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Mg+2]
InChIInChI=1S/2C12H11I3N2O4.Mg/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);/q;;+2/p-2
InChIKeyGKYAWXYOWNFSQR-UHFFFAOYSA-L
MW1278.17 g/mol
LogP3.27
Rot. Bonds10

About magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)

magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate) (PubChem CID 57375686) has the molecular formula C24H20I6MgN4O8 and a molecular weight of 1278.17 g/mol. Its IUPAC name is magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate).

Molecular Properties

Compound Namemagnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)
PubChem CID57375686
Molecular FormulaC24H20I6MgN4O8
Molecular Weight1278.17 g/mol
Exact Mass1277.54
IUPAC Namemagnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)
SMILESCC(=O)CNc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.CC(=O)CNc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Mg+2]
InChIInChI=1S/2C12H11I3N2O4.Mg/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);/q;;+2/p-2
InChIKeyGKYAWXYOWNFSQR-UHFFFAOYSA-L
XLogP3.27
TPSA196.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001278.17
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate);hydride
CID 139596854
sodium;3,5-diacetamido-2,4,6-triiodobenzoate;hydrate
CID 25102448
sodium 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate
CID 23695979
3-acetamido-2,4,6-triiodobenzoate
CID 4611060
sodium 3-acetamido-2,4-diiodo-6-methyl-5-(methylcarbamoyl)benzoate
CID 23662348
potassium;3,5-diacetamido-2,4,6-triiodobenzoic acid;hydride
CID 173289053
3,5-diacetamido-2,4,6-triiodo-N-methylbenzamide
CID 15035247
amino 3-acetyl-2,4,6-triiodo-5-(2-oxopropylamino)benzoate
CID 87583096
3,5-diacetamido-2,4,6-triiodo-N,N-dimethylbenzamide
CID 15035252
(1Z)-3,5-diacetamido-2,4,6-triiodo-N-methylsulfonylbenzenecarboximidate
CID 153287262
3-acetamido-2,4,6-tribromobenzoate
CID 154611950
3,5-diacetamido-2,4-diiodo-6-methylbenzoic acid
CID 138481833

Frequently Asked Questions

What is the IUPAC name of magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)?
The IUPAC name of magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate) (CID 57375686) is magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate).
What is the SMILES notation for magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)?
The canonical SMILES for magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate) is CC(=O)CNc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.CC(=O)CNc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Mg+2].
What is the InChIKey of magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)?
The InChIKey is GKYAWXYOWNFSQR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H11I3N2O4.Mg/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);/q;;+2/p-2.
What are the key properties of magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate)?
magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate) has a molecular weight of 1278.17 g/mol, XLogP of 3.27, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium bis(3-acetamido-2,4,6-triiodo-5-(2-oxopropylamino)benzoate) is sourced from PubChem (CID 57375686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).