2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)

C13H27N5O6Y2-2 — CID 156664393

IUPAC2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)
SMILES[CH2-]C(=O)NC.[CH2-]C(=O)NCCOCCO.[N-]=[N+]=NCCOCCO.[Y].[Y]
InChIInChI=1S/C6H12NO3.C4H9N3O2.C3H6NO.2Y/c1-6(9)7-2-4-10-5-3-8;5-7-6-1-3-9-4-2-8;1-3(5)4-2;;/h8H,1-5H2,(H,7,9);8H,1-4H2;1H2,2H3,(H,4,5);;/q-1;;-1;;
InChIKeyQYCKJRDAKAWWKP-UHFFFAOYSA-N
MW527.20 g/mol
LogP-1.19
Rot. Bonds10

About 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)

2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) (PubChem CID 156664393) has the molecular formula C13H27N5O6Y2-2 and a molecular weight of 527.20 g/mol. Its IUPAC name is 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium).

Molecular Properties

Compound Name2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)
PubChem CID156664393
Molecular FormulaC13H27N5O6Y2-2
Molecular Weight527.20 g/mol
Exact Mass527.01
IUPAC Name2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)
SMILES[CH2-]C(=O)NC.[CH2-]C(=O)NCCOCCO.[N-]=[N+]=NCCOCCO.[Y].[Y]
InChIInChI=1S/C6H12NO3.C4H9N3O2.C3H6NO.2Y/c1-6(9)7-2-4-10-5-3-8;5-7-6-1-3-9-4-2-8;1-3(5)4-2;;/h8H,1-5H2,(H,7,9);8H,1-4H2;1H2,2H3,(H,4,5);;/q-1;;-1;;
InChIKeyQYCKJRDAKAWWKP-UHFFFAOYSA-N
XLogP-1.19
TPSA165.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)?
The IUPAC name of 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) (CID 156664393) is 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium).
What is the SMILES notation for 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)?
The canonical SMILES for 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) is [CH2-]C(=O)NC.[CH2-]C(=O)NCCOCCO.[N-]=[N+]=NCCOCCO.[Y].[Y].
What is the InChIKey of 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)?
The InChIKey is QYCKJRDAKAWWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO3.C4H9N3O2.C3H6NO.2Y/c1-6(9)7-2-4-10-5-3-8;5-7-6-1-3-9-4-2-8;1-3(5)4-2;;/h8H,1-5H2,(H,7,9);8H,1-4H2;1H2,2H3,(H,4,5);;/q-1;;-1;;.
What are the key properties of 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium)?
2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) has a molecular weight of 527.20 g/mol, XLogP of -1.19, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethoxy)ethanol;N-[2-(2-hydroxyethoxy)ethyl]acetamide;N-methylacetamide;bis(yttrium) is sourced from PubChem (CID 156664393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).