2-[2-(diethylamino)ethoxy]isoindole-1,3-dione

C14H18N2O3 — CID 15918162

IUPAC2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
SMILESCCN(CC)CCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O3/c1-3-15(4-2)9-10-19-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAIMPKXUYKXGNGS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds6

About 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione

2-[2-(diethylamino)ethoxy]isoindole-1,3-dione (PubChem CID 15918162) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
PubChem CID15918162
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
SMILESCCN(CC)CCON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H18N2O3/c1-3-15(4-2)9-10-19-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8H,3-4,9-10H2,1-2H3
InChIKeyAIMPKXUYKXGNGS-UHFFFAOYSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione (CID 15918162) is 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione is CCN(CC)CCON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione?
The InChIKey is AIMPKXUYKXGNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-15(4-2)9-10-19-16-13(17)11-7-5-6-8-12(11)14(16)18/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione?
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione has a molecular weight of 262.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 15918162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).