2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide

C17H19IN4O4 — CID 156528086

IUPAC2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(I)c2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H19IN4O4/c1-21(2)8-14(24)19-11-4-3-10(18)15-9(11)7-22(17(15)26)12-5-6-13(23)20-16(12)25/h3-4,12H,5-8H2,1-2H3,(H,19,24)(H,20,23,25)
InChIKeyYLOIHZNARZQHMQ-UHFFFAOYSA-N
MW470.27 g/mol
LogP0.55
Rot. Bonds4

About 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide

2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide (PubChem CID 156528086) 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-1-oxo-3H-isoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide
PubChem CID156528086
Molecular FormulaC17H19IN4O4
Molecular Weight470.27 g/mol
Exact Mass470.05
IUPAC Name2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide
SMILESCN(C)CC(=O)Nc1ccc(I)c2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H19IN4O4/c1-21(2)8-14(24)19-11-4-3-10(18)15-9(11)7-22(17(15)26)12-5-6-13(23)20-16(12)25/h3-4,12H,5-8H2,1-2H3,(H,19,24)(H,20,23,25)
InChIKeyYLOIHZNARZQHMQ-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)-7-iodo-3-oxo-1H-isoindol-5-yl]acetamide
CID 156527826
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
3-(4-fluoro-7-iodo-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134348219
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]-N-(2-propoxyethyl)carbamate
CID 166714911
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-3-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 155292318
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
2-[2-(2-aminoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide
CID 121395621
tert-butyl N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-2-oxoethyl]carbamate
CID 162489375
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-11-oxoundecanamide
CID 126719053

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide (CID 156528086) is 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide is CN(C)CC(=O)Nc1ccc(I)c2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide?
The InChIKey is YLOIHZNARZQHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN4O4/c1-21(2)8-14(24)19-11-4-3-10(18)15-9(11)7-22(17(15)26)12-5-6-13(23)20-16(12)25/h3-4,12H,5-8H2,1-2H3,(H,19,24)(H,20,23,25).
What are the key properties of 2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-yl]acetamide?
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-7-iodo-1-oxo-3H-isoindol-4-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-1-oxo-3H-isoindol-4-yl]acetamide is sourced from PubChem (CID 156528086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).