N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide

C10H20N4O4 — CID 162694868

IUPACN-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
SMILESCOCCOCCOCC(=O)N(C)CCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O4/c1-14(4-3-12-13-11)10(15)9-18-8-7-17-6-5-16-2/h3-9H2,1-2H3
InChIKeyDKMJZRSPEGWKCJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.43
Rot. Bonds11

About N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide

N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide (PubChem CID 162694868) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
PubChem CID162694868
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC NameN-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
SMILESCOCCOCCOCC(=O)N(C)CCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O4/c1-14(4-3-12-13-11)10(15)9-18-8-7-17-6-5-16-2/h3-9H2,1-2H3
InChIKeyDKMJZRSPEGWKCJ-UHFFFAOYSA-N
XLogP0.43
TPSA96.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
CID 158766699
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
2-[2-(2-methoxyethoxy)ethoxy]acetyl azide
CID 71406547
N-(2-methoxyethyl)-N-methyl-2-(2-oxopropoxy)acetamide
CID 153486045
N-(5-azidopentyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 121333074
2-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 103602421
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N,N-dimethylethanamine
CID 150469867
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113228898
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]acetic acid
CID 166868754
5-[[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]acetyl]oxy-methylamino]-5-oxopentanoic acid
CID 171548782

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide?
The IUPAC name of N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide (CID 162694868) is N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide?
The canonical SMILES for N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide is COCCOCCOCC(=O)N(C)CCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide?
The InChIKey is DKMJZRSPEGWKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-14(4-3-12-13-11)10(15)9-18-8-7-17-6-5-16-2/h3-9H2,1-2H3.
What are the key properties of N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide?
N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide has a molecular weight of 260.29 g/mol, XLogP of 0.43, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide is sourced from PubChem (CID 162694868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).