N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide

C12H19N3O7 — CID 59490959

IUPACN-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)NON1C(=O)CCC1=O)C(=O)COC
InChIInChI=1S/C12H19N3O7/c1-20-6-5-14(12(19)8-21-2)7-9(16)13-22-15-10(17)3-4-11(15)18/h3-8H2,1-2H3,(H,13,16)
InChIKeyLVZBCLGCDWMVGB-UHFFFAOYSA-N
MW317.30 g/mol
LogP-1.78
Rot. Bonds9

About N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide

N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide (PubChem CID 59490959) has the molecular formula C12H19N3O7 and a molecular weight of 317.30 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide
PubChem CID59490959
Molecular FormulaC12H19N3O7
Molecular Weight317.30 g/mol
Exact Mass317.12
IUPAC NameN-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide
SMILESCOCCN(CC(=O)NON1C(=O)CCC1=O)C(=O)COC
InChIInChI=1S/C12H19N3O7/c1-20-6-5-14(12(19)8-21-2)7-9(16)13-22-15-10(17)3-4-11(15)18/h3-8H2,1-2H3,(H,13,16)
InChIKeyLVZBCLGCDWMVGB-UHFFFAOYSA-N
XLogP-1.78
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide (CID 59490959) is N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide is COCCN(CC(=O)NON1C(=O)CCC1=O)C(=O)COC.
What is the InChIKey of N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide?
The InChIKey is LVZBCLGCDWMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O7/c1-20-6-5-14(12(19)8-21-2)7-9(16)13-22-15-10(17)3-4-11(15)18/h3-8H2,1-2H3,(H,13,16).
What are the key properties of N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide?
N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide has a molecular weight of 317.30 g/mol, XLogP of -1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-1-yl)oxy-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 59490959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).