2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide

C17H19IN4O4 — CID 156527826

IUPAC2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide
SMILESCN(C)CC(=O)Nc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C17H19IN4O4/c1-21(2)8-15(24)19-9-5-10-11(12(18)6-9)7-22(17(10)26)13-3-4-14(23)20-16(13)25/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,23,25)
InChIKeyUDZKUINRYDEMDI-UHFFFAOYSA-N
MW470.27 g/mol
LogP0.55
Rot. Bonds4

About 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide

2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide (PubChem CID 156527826) has the molecular formula C17H19IN4O4 and a molecular weight of 470.27 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide
PubChem CID156527826
Molecular FormulaC17H19IN4O4
Molecular Weight470.27 g/mol
Exact Mass470.05
IUPAC Name2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide
SMILESCN(C)CC(=O)Nc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C17H19IN4O4/c1-21(2)8-15(24)19-9-5-10-11(12(18)6-9)7-22(17(10)26)13-3-4-14(23)20-16(13)25/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,23,25)
InChIKeyUDZKUINRYDEMDI-UHFFFAOYSA-N
XLogP0.55
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
2-[[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]amino]acetamide
CID 156528081
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide
CID 156528086
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-methylacetamide
CID 166074434
methyl 7-bromo-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxylate
CID 166074332
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
3-(5-fluoro-7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167273533
7-(dimethylamino)-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonitrile
CID 167342181
3-(3-chlorophenyl)-1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-1-methylurea
CID 24895847
1-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]carbamoyl]-1,3,3-trimethylurea
CID 166426847

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide (CID 156527826) is 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide is CN(C)CC(=O)Nc1cc(I)c2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?
The InChIKey is UDZKUINRYDEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN4O4/c1-21(2)8-15(24)19-9-5-10-11(12(18)6-9)7-22(17(10)26)13-3-4-14(23)20-16(13)25/h5-6,13H,3-4,7-8H2,1-2H3,(H,19,24)(H,20,23,25).
What are the key properties of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide?
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide has a molecular weight of 470.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide is sourced from PubChem (CID 156527826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).