sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride

C8H17N4NaO4 — CID 169427331

IUPACsodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride
SMILESCC(=O)NCCOCCN=[N+]=[N-].CC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H12N4O2.C2H4O2.Na.H/c1-6(11)8-2-4-12-5-3-9-10-7;1-2(3)4;;/h2-5H2,1H3,(H,8,11);1H3,(H,3,4);;/q;;+1;-1
InChIKeyMBMHFMQLFOITHJ-UHFFFAOYSA-N
MW256.24 g/mol
LogP-2.34
Rot. Bonds6

About sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride

sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride (PubChem CID 169427331) has the molecular formula C8H17N4NaO4 and a molecular weight of 256.24 g/mol. Its IUPAC name is sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride.

Molecular Properties

Compound Namesodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride
PubChem CID169427331
Molecular FormulaC8H17N4NaO4
Molecular Weight256.24 g/mol
Exact Mass256.11
IUPAC Namesodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride
SMILESCC(=O)NCCOCCN=[N+]=[N-].CC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H12N4O2.C2H4O2.Na.H/c1-6(11)8-2-4-12-5-3-9-10-7;1-2(3)4;;/h2-5H2,1H3,(H,8,11);1H3,(H,3,4);;/q;;+1;-1
InChIKeyMBMHFMQLFOITHJ-UHFFFAOYSA-N
XLogP-2.34
TPSA124.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-2.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486
(2S,3R,4S,5R)-N,N'-bis[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158182
(2S,3R,4S,5R)-N,N'-bis[2-[2-(2-azidoethoxy)ethoxy]ethyl]-2,3,4,5-tetrahydroxyhexanediamide
CID 129158118
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
5-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 154016852
N-[2-(2-azidoethoxy)ethyl]hexadecanamide
CID 141376233
2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)
CID 156664393
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
ethyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylcarbamoylamino]carbamate
CID 86718998

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride?
The IUPAC name of sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride (CID 169427331) is sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride.
What is the SMILES notation for sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride?
The canonical SMILES for sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride is CC(=O)NCCOCCN=[N+]=[N-].CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride?
The InChIKey is MBMHFMQLFOITHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2.C2H4O2.Na.H/c1-6(11)8-2-4-12-5-3-9-10-7;1-2(3)4;;/h2-5H2,1H3,(H,8,11);1H3,(H,3,4);;/q;;+1;-1.
What are the key properties of sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride?
sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride has a molecular weight of 256.24 g/mol, XLogP of -2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;N-[2-(2-azidoethoxy)ethyl]acetamide;hydride is sourced from PubChem (CID 169427331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).