6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide

C13H22N2O4 — CID 2219849

IUPAC6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide
SMILESCOCCNC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H22N2O4/c1-19-10-8-14-11(16)5-3-2-4-9-15-12(17)6-7-13(15)18/h2-10H2,1H3,(H,14,16)
InChIKeyTZSSPGHYJZMBAL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.46
Rot. Bonds9

About 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide

6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide (PubChem CID 2219849) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide
PubChem CID2219849
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide
SMILESCOCCNC(=O)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H22N2O4/c1-19-10-8-14-11(16)5-3-2-4-9-15-12(17)6-7-13(15)18/h2-10H2,1H3,(H,14,16)
InChIKeyTZSSPGHYJZMBAL-UHFFFAOYSA-N
XLogP0.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethyl)hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide (CID 2219849) is 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide is COCCNC(=O)CCCCCN1C(=O)CCC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide?
The InChIKey is TZSSPGHYJZMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-10-8-14-11(16)5-3-2-4-9-15-12(17)6-7-13(15)18/h2-10H2,1H3,(H,14,16).
What are the key properties of 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide?
6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide has a molecular weight of 270.33 g/mol, XLogP of 0.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyethyl)hexanamide is sourced from PubChem (CID 2219849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).