6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate

C32H51N3O13 — CID 158842922

IUPAC6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate
SMILESCCOCCOCCNC(=O)CCCC(=O)CN1C(=O)CCC1=O.CCOCCOCCOC(=O)CCCC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C16H26N2O6.C16H25NO7/c1-2-23-10-11-24-9-8-17-14(20)5-3-4-13(19)12-18-15(21)6-7-16(18)22;1-2-22-8-9-23-10-11-24-16(21)5-3-4-13(18)12-17-14(19)6-7-15(17)20/h2-12H2,1H3,(H,17,20);2-12H2,1H3
InChIKeyIYLXCOYZEICWLO-UHFFFAOYSA-N
MW685.77 g/mol
LogP0.52
Rot. Bonds26

About 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate

6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate (PubChem CID 158842922) has the molecular formula C32H51N3O13 and a molecular weight of 685.77 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate.

Molecular Properties

Compound Name6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate
PubChem CID158842922
Molecular FormulaC32H51N3O13
Molecular Weight685.77 g/mol
Exact Mass685.34
IUPAC Name6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate
SMILESCCOCCOCCNC(=O)CCCC(=O)CN1C(=O)CCC1=O.CCOCCOCCOC(=O)CCCC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C16H26N2O6.C16H25NO7/c1-2-23-10-11-24-9-8-17-14(20)5-3-4-13(19)12-18-15(21)6-7-16(18)22;1-2-22-8-9-23-10-11-24-16(21)5-3-4-13(18)12-17-14(19)6-7-15(17)20/h2-12H2,1H3,(H,17,20);2-12H2,1H3
InChIKeyIYLXCOYZEICWLO-UHFFFAOYSA-N
XLogP0.52
TPSA201.22 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.77
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

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 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate?
The IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate (CID 158842922) is 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate.
What is the SMILES notation for 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate?
The canonical SMILES for 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate is CCOCCOCCNC(=O)CCCC(=O)CN1C(=O)CCC1=O.CCOCCOCCOC(=O)CCCC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate?
The InChIKey is IYLXCOYZEICWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6.C16H25NO7/c1-2-23-10-11-24-9-8-17-14(20)5-3-4-13(19)12-18-15(21)6-7-16(18)22;1-2-22-8-9-23-10-11-24-16(21)5-3-4-13(18)12-17-14(19)6-7-15(17)20/h2-12H2,1H3,(H,17,20);2-12H2,1H3.
What are the key properties of 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate?
6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate has a molecular weight of 685.77 g/mol, XLogP of 0.52, 26 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-ethoxyethoxy)ethyl]-5-oxohexanamide;2-(2-ethoxyethoxy)ethyl 6-(2,5-dioxopyrrolidin-1-yl)-5-oxohexanoate is sourced from PubChem (CID 158842922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).