2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide

C9H18N2O5 — CID 123264301

IUPAC2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
SMILESNOCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C9H18N2O5/c10-16-8-9(13)11-2-5-15-7-6-14-4-1-3-12/h3H,1-2,4-8,10H2,(H,11,13)
InChIKeyNWWOHBJAHYLVIL-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.38
Rot. Bonds11

About 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide

2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide (PubChem CID 123264301) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
PubChem CID123264301
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
SMILESNOCC(=O)NCCOCCOCCC=O
InChIInChI=1S/C9H18N2O5/c10-16-8-9(13)11-2-5-15-7-6-14-4-1-3-12/h3H,1-2,4-8,10H2,(H,11,13)
InChIKeyNWWOHBJAHYLVIL-UHFFFAOYSA-N
XLogP-1.38
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144635038
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]-3-sulfanylpropanamide
CID 88982905
3-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]propanamide
CID 177357974
ethane;2-(methylamino)-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide
CID 177342211
[2-oxo-2-(4-oxobutylamino)ethyl] N-[2-(4-oxobutoxy)ethyl]carbamate
CID 58571150
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[2-(3-oxopropoxy)ethyl]acetamide
CID 158723077
CID 88883939
CID 88883939
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-5-oxopentanamide
CID 162740366
tert-butyl N-[2-[2-[2-[2-[(2-aminooxyacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]carbamate
CID 121257831
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
CID 145418064

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
The IUPAC name of 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide (CID 123264301) is 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide is NOCC(=O)NCCOCCOCCC=O.
What is the InChIKey of 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
The InChIKey is NWWOHBJAHYLVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c10-16-8-9(13)11-2-5-15-7-6-14-4-1-3-12/h3H,1-2,4-8,10H2,(H,11,13).
What are the key properties of 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide?
2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide has a molecular weight of 234.25 g/mol, XLogP of -1.38, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]acetamide is sourced from PubChem (CID 123264301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).