2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide

C12H19N3O6 — CID 90196811

IUPAC2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESNOCC(=O)NCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O6/c13-21-9-10(16)14-3-5-19-7-8-20-6-4-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16)
InChIKeyNNAIUZBACWYHTO-UHFFFAOYSA-N
MW301.30 g/mol
LogP-2.05
Rot. Bonds11

About 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide

2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide (PubChem CID 90196811) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide
PubChem CID90196811
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide
SMILESNOCC(=O)NCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C12H19N3O6/c13-21-9-10(16)14-3-5-19-7-8-20-6-4-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16)
InChIKeyNNAIUZBACWYHTO-UHFFFAOYSA-N
XLogP-2.05
TPSA120.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The IUPAC name of 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide (CID 90196811) is 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The canonical SMILES for 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide is NOCC(=O)NCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
The InChIKey is NNAIUZBACWYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c13-21-9-10(16)14-3-5-19-7-8-20-6-4-15-11(17)1-2-12(15)18/h1-2H,3-9,13H2,(H,14,16).
What are the key properties of 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide?
2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide has a molecular weight of 301.30 g/mol, XLogP of -2.05, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]acetamide is sourced from PubChem (CID 90196811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).