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

C20H25N3O7 — CID 139441794

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione
SMILESCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H25N3O7/c1-28-9-10-30-12-11-29-8-7-21-14-4-2-3-13-17(14)20(27)23(19(13)26)15-5-6-16(24)22-18(15)25/h2-4,15,21H,5-12H2,1H3,(H,22,24,25)
InChIKeyRPYMUKUTWBEVRQ-UHFFFAOYSA-N
MW419.43 g/mol
LogP0.18
Rot. Bonds11

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

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 139441794) has the molecular formula C20H25N3O7 and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione
PubChem CID139441794
Molecular FormulaC20H25N3O7
Molecular Weight419.43 g/mol
Exact Mass419.17
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione
SMILESCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H25N3O7/c1-28-9-10-30-12-11-29-8-7-21-14-4-2-3-13-17(14)20(27)23(19(13)26)15-5-6-16(24)22-18(15)25/h2-4,15,21H,5-12H2,1H3,(H,22,24,25)
InChIKeyRPYMUKUTWBEVRQ-UHFFFAOYSA-N
XLogP0.18
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione (CID 139441794) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione is COCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione?
The InChIKey is RPYMUKUTWBEVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7/c1-28-9-10-30-12-11-29-8-7-21-14-4-2-3-13-17(14)20(27)23(19(13)26)15-5-6-16(24)22-18(15)25/h2-4,15,21H,5-12H2,1H3,(H,22,24,25).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 419.43 g/mol, XLogP of 0.18, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 139441794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).