2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione

C39H44N6O15 — CID 158398992

About 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione

2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 158398992) has the molecular formula C39H44N6O15 and a molecular weight of 836.81 g/mol. Its IUPAC name is 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 158398992
• Molecular Formula: C39H44N6O15
• Molecular Weight: 836.81 g/mol
• Exact Mass: 836.29
• IUPAC Name: 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: CC(=O)COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C20H23N3O7.C19H21N3O8/c1-12(24)11-30-10-9-29-8-7-21-14-4-2-3-13-17(14)20(28)23(19(13)27)15-5-6-16(25)22-18(15)26;23-14-5-4-13(17(26)21-14)22-18(27)11-2-1-3-12(16(11)19(22)28)20-6-7-29-8-9-30-10-15(24)25/h2-4,15,21H,5-11H2,1H3,(H,22,25,26);1-3,13,20H,4-10H2,(H,24,25)(H,21,23,26)
• InChIKey: GXWHLOZKUDWXHG-UHFFFAOYSA-N
• XLogP: -0.26
• TPSA: 282.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.81
LogP ≤ 5	-0.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione (CID 158398992) is 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione?

The canonical SMILES for 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione is CC(=O)COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)COCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione?

The InChIKey is GXWHLOZKUDWXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O7.C19H21N3O8/c1-12(24)11-30-10-9-29-8-7-21-14-4-2-3-13-17(14)20(28)23(19(13)27)15-5-6-16(25)22-18(15)26;23-14-5-4-13(17(26)21-14)22-18(27)11-2-1-3-12(16(11)19(22)28)20-6-7-29-8-9-30-10-15(24)25/h2-4,15,21H,5-11H2,1H3,(H,22,25,26);1-3,13,20H,4-10H2,(H,24,25)(H,21,23,26).

What are the key properties of 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione?

2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 836.81 g/mol, XLogP of -0.26, 20 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]acetic acid;2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 158398992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).