2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane

C17H20N2O5 — CID 166167636

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
SMILESCC.CCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H14N2O5.C2H6/c1-2-22-10-5-3-4-8-12(10)15(21)17(14(8)20)9-6-7-11(18)16-13(9)19;1-2/h3-5,9H,2,6-7H2,1H3,(H,16,18,19);1-2H3
InChIKeyBAMVDPUCXNQICN-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.51
Rot. Bonds3

About 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane

2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane (PubChem CID 166167636) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
PubChem CID166167636
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
SMILESCC.CCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H14N2O5.C2H6/c1-2-22-10-5-3-4-8-12(10)15(21)17(14(8)20)9-6-7-11(18)16-13(9)19;1-2/h3-5,9H,2,6-7H2,1H3,(H,16,18,19);1-2H3
InChIKeyBAMVDPUCXNQICN-UHFFFAOYSA-N
XLogP1.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-4-methoxyisoindole-1,3-dione
CID 158666282
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
CID 164925007
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155292143
4-(8-aminooctoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 121448705
2-(2,6-dioxopiperidin-3-yl)-4-[(4-methylsulfanylphenyl)methoxy]isoindole-1,3-dione
CID 138710774
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione
CID 169257409
4-(5-aminopentoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 146150393
4-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 155292142
2-(2,6-dioxopiperidin-3-yl)-4-(11-oxododecoxy)isoindole-1,3-dione
CID 170374507
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]propanoic acid
CID 175284105
2-[4-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxymethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 175971460

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane (CID 166167636) is 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane is CC.CCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane?
The InChIKey is BAMVDPUCXNQICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5.C2H6/c1-2-22-10-5-3-4-8-12(10)15(21)17(14(8)20)9-6-7-11(18)16-13(9)19;1-2/h3-5,9H,2,6-7H2,1H3,(H,16,18,19);1-2H3.
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane?
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane has a molecular weight of 332.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane is sourced from PubChem (CID 166167636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).