4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C17H20N4O5 — CID 131999669

IUPAC4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H20N4O5/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23/h1-3,12,19H,4-9,18H2,(H,20,22,23)
InChIKeyWEPAAESBMNSHJA-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.52
Rot. Bonds7

About 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 131999669) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID131999669
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C17H20N4O5/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23/h1-3,12,19H,4-9,18H2,(H,20,22,23)
InChIKeyWEPAAESBMNSHJA-UHFFFAOYSA-N
XLogP-0.52
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 131999669) is 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is WEPAAESBMNSHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c18-6-8-26-9-7-19-11-3-1-2-10-14(11)17(25)21(16(10)24)12-4-5-13(22)20-15(12)23/h1-3,12,19H,4-9,18H2,(H,20,22,23).
What are the key properties of 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 360.37 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethoxy)ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 131999669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).