3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione

C18H26N4O6 — CID 646765

IUPAC3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1CCN1C(=O)CC(N2CCOCC2)C1=O
InChIInChI=1S/C18H26N4O6/c23-15-11-13(19-3-7-27-8-4-19)17(25)21(15)1-2-22-16(24)12-14(18(22)26)20-5-9-28-10-6-20/h13-14H,1-12H2
InChIKeyLXTFECPXKXJWRS-UHFFFAOYSA-N
MW394.43 g/mol
LogP-2.09
Rot. Bonds5

About 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione

3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 646765) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID646765
Molecular FormulaC18H26N4O6
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCOCC2)C(=O)N1CCN1C(=O)CC(N2CCOCC2)C1=O
InChIInChI=1S/C18H26N4O6/c23-15-11-13(19-3-7-27-8-4-19)17(25)21(15)1-2-22-16(24)12-14(18(22)26)20-5-9-28-10-6-20/h13-14H,1-12H2
InChIKeyLXTFECPXKXJWRS-UHFFFAOYSA-N
XLogP-2.09
TPSA99.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 646765) is 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione is O=C1CC(N2CCOCC2)C(=O)N1CCN1C(=O)CC(N2CCOCC2)C1=O.
What is the InChIKey of 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is LXTFECPXKXJWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6/c23-15-11-13(19-3-7-27-8-4-19)17(25)21(15)1-2-22-16(24)12-14(18(22)26)20-5-9-28-10-6-20/h13-14H,1-12H2.
What are the key properties of 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione?
3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 394.43 g/mol, XLogP of -2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[2-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 646765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).