4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide

C24H25N3O5 — CID 166423082

IUPAC4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1ccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C24H25N3O5/c1-2-32-13-12-25-22(29)16-8-6-15(7-9-16)17-4-3-5-18-19(17)14-27(24(18)31)20-10-11-21(28)26-23(20)30/h3-9,20H,2,10-14H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyWVMUNEQULKTXGR-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.88
Rot. Bonds7

About 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide

4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide (PubChem CID 166423082) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide.

Molecular Properties

Compound Name4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide
PubChem CID166423082
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide
SMILESCCOCCNC(=O)c1ccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C24H25N3O5/c1-2-32-13-12-25-22(29)16-8-6-15(7-9-16)17-4-3-5-18-19(17)14-27(24(18)31)20-10-11-21(28)26-23(20)30/h3-9,20H,2,10-14H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyWVMUNEQULKTXGR-UHFFFAOYSA-N
XLogP1.88
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-oxo-7-(4-propanoylphenyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166418922
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[7-(4-octoxyphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 141341745
3-[2-[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]acetyl]amino]ethoxy]ethoxy]propanoic acid
CID 167471038
3-[7-[4-(dimethylamino)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416351
1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]urea
CID 169161518
4-[[2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(3-piperidin-1-ylpropyl)benzamide
CID 167269658
3-[7-[4-(difluoromethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416348
3-[7-[3-(2-methoxyethoxy)propyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147558760
3-[3-oxo-7-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155673284
4-amino-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-4-oxobutyl]benzamide
CID 156882782
3-[7-(5-hydroxypentoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165166586

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide?
The IUPAC name of 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide (CID 166423082) is 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide.
What is the SMILES notation for 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide?
The canonical SMILES for 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide is CCOCCNC(=O)c1ccc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide?
The InChIKey is WVMUNEQULKTXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-2-32-13-12-25-22(29)16-8-6-15(7-9-16)17-4-3-5-18-19(17)14-27(24(18)31)20-10-11-21(28)26-23(20)30/h3-9,20H,2,10-14H2,1H3,(H,25,29)(H,26,28,30).
What are the key properties of 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide?
4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide has a molecular weight of 435.48 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-N-(2-ethoxyethyl)benzamide is sourced from PubChem (CID 166423082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).