bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium

C104H152I8N8O23+8 — CID 159786869

IUPACbis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(I)cc1.CC[NH+](CC)CCOC(=O)c1cccc(I)c1.CC[NH+](CC)CCOC(=O)c1ccccc1I.CC[NH+](CCO)CCOC(=O)c1ccc(I)cc1.CC[NH+](CCO)CCOC(=O)c1cccc(I)c1.CC[NH+](CCO)CCOC(=O)c1ccccc1I.O=C(OCC[NH+](CCO)CCO)c1cccc(I)c1.O=C(OCC[NH+](CCO)CCO)c1ccccc1I
InChIInChI=1S/2C13H18INO4.3C13H18INO3.3C13H18INO2/c14-12-3-1-2-11(10-12)13(18)19-9-6-15(4-7-16)5-8-17;14-12-4-2-1-3-11(12)13(18)19-10-7-15(5-8-16)6-9-17;1-2-15(7-9-16)8-10-18-13(17)11-3-5-12(14)6-4-11;1-2-15(6-8-16)7-9-18-13(17)11-4-3-5-12(14)10-11;1-2-15(7-9-16)8-10-18-13(17)11-5-3-4-6-12(11)14;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-3-15(4-2)8-9-17-13(16)11-6-5-7-12(14)10-11;1-3-15(4-2)9-10-17-13(16)11-7-5-6-8-12(11)14/h1-3,10,16-17H,4-9H2;1-4,16-17H,5-10H2;3-6,16H,2,7-10H2,1H3;3-5,10,16H,2,6-9H2,1H3;3-6,16H,2,7-10H2,1H3;5-8H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-8H,3-4,9-10H2,1-2H3/p+8
InChIKeyNIBFHJAAUPTMLU-UHFFFAOYSA-V
MW2897.62 g/mol
LogP3.79
Rot. Bonds55

About bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium

bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium (PubChem CID 159786869) has the molecular formula C104H152I8N8O23+8 and a molecular weight of 2897.62 g/mol. Its IUPAC name is bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium.

Molecular Properties

Compound Namebis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium
PubChem CID159786869
Molecular FormulaC104H152I8N8O23+8
Molecular Weight2897.62 g/mol
Exact Mass2896.33
IUPAC Namebis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium
SMILESCC[NH+](CC)CCOC(=O)c1ccc(I)cc1.CC[NH+](CC)CCOC(=O)c1cccc(I)c1.CC[NH+](CC)CCOC(=O)c1ccccc1I.CC[NH+](CCO)CCOC(=O)c1ccc(I)cc1.CC[NH+](CCO)CCOC(=O)c1cccc(I)c1.CC[NH+](CCO)CCOC(=O)c1ccccc1I.O=C(OCC[NH+](CCO)CCO)c1cccc(I)c1.O=C(OCC[NH+](CCO)CCO)c1ccccc1I
InChIInChI=1S/2C13H18INO4.3C13H18INO3.3C13H18INO2/c14-12-3-1-2-11(10-12)13(18)19-9-6-15(4-7-16)5-8-17;14-12-4-2-1-3-11(12)13(18)19-10-7-15(5-8-16)6-9-17;1-2-15(7-9-16)8-10-18-13(17)11-3-5-12(14)6-4-11;1-2-15(6-8-16)7-9-18-13(17)11-4-3-5-12(14)10-11;1-2-15(7-9-16)8-10-18-13(17)11-5-3-4-6-12(11)14;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-3-15(4-2)8-9-17-13(16)11-6-5-7-12(14)10-11;1-3-15(4-2)9-10-17-13(16)11-7-5-6-8-12(11)14/h1-3,10,16-17H,4-9H2;1-4,16-17H,5-10H2;3-6,16H,2,7-10H2,1H3;3-5,10,16H,2,6-9H2,1H3;3-6,16H,2,7-10H2,1H3;5-8H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-8H,3-4,9-10H2,1-2H3/p+8
InChIKeyNIBFHJAAUPTMLU-UHFFFAOYSA-V
XLogP3.79
TPSA387.53 Ų
H-Bond Donors15
H-Bond Acceptors23
Rotatable Bonds55
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002897.62
LogP ≤ 53.79
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium?
The IUPAC name of bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium (CID 159786869) is bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium.
What is the SMILES notation for bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium?
The canonical SMILES for bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium is CC[NH+](CC)CCOC(=O)c1ccc(I)cc1.CC[NH+](CC)CCOC(=O)c1cccc(I)c1.CC[NH+](CC)CCOC(=O)c1ccccc1I.CC[NH+](CCO)CCOC(=O)c1ccc(I)cc1.CC[NH+](CCO)CCOC(=O)c1cccc(I)c1.CC[NH+](CCO)CCOC(=O)c1ccccc1I.O=C(OCC[NH+](CCO)CCO)c1cccc(I)c1.O=C(OCC[NH+](CCO)CCO)c1ccccc1I.
What is the InChIKey of bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium?
The InChIKey is NIBFHJAAUPTMLU-UHFFFAOYSA-V. The full InChI is InChI=1S/2C13H18INO4.3C13H18INO3.3C13H18INO2/c14-12-3-1-2-11(10-12)13(18)19-9-6-15(4-7-16)5-8-17;14-12-4-2-1-3-11(12)13(18)19-10-7-15(5-8-16)6-9-17;1-2-15(7-9-16)8-10-18-13(17)11-3-5-12(14)6-4-11;1-2-15(6-8-16)7-9-18-13(17)11-4-3-5-12(14)10-11;1-2-15(7-9-16)8-10-18-13(17)11-5-3-4-6-12(11)14;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;1-3-15(4-2)8-9-17-13(16)11-6-5-7-12(14)10-11;1-3-15(4-2)9-10-17-13(16)11-7-5-6-8-12(11)14/h1-3,10,16-17H,4-9H2;1-4,16-17H,5-10H2;3-6,16H,2,7-10H2,1H3;3-5,10,16H,2,6-9H2,1H3;3-6,16H,2,7-10H2,1H3;5-8H,3-4,9-10H2,1-2H3;5-7,10H,3-4,8-9H2,1-2H3;5-8H,3-4,9-10H2,1-2H3/p+8.
What are the key properties of bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium?
bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium has a molecular weight of 2897.62 g/mol, XLogP of 3.79, 55 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;bis(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(2-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(3-iodobenzoyl)oxyethyl]azanium;diethyl-[2-(4-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(2-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(3-iodobenzoyl)oxyethyl]azanium;ethyl-(2-hydroxyethyl)-[2-(4-iodobenzoyl)oxyethyl]azanium is sourced from PubChem (CID 159786869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).