2-(2-ethoxyethoxy)-N-tritioacetamide

C6H13NO3 — CID 159131304

IUPAC2-(2-ethoxyethoxy)-N-tritioacetamide
SMILES[3H]NC(=O)COCCOCC
InChIInChI=1S/C6H13NO3/c1-2-9-3-4-10-5-6(7)8/h2-5H2,1H3,(H2,7,8)/i/hT
InChIKeyNHCPQLWQFVVDHX-MNYXATJNSA-N
MW149.18 g/mol
LogP-0.48
Rot. Bonds6

About 2-(2-ethoxyethoxy)-N-tritioacetamide

2-(2-ethoxyethoxy)-N-tritioacetamide (PubChem CID 159131304) has the molecular formula C6H13NO3 and a molecular weight of 149.18 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-N-tritioacetamide.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-N-tritioacetamide
PubChem CID159131304
Molecular FormulaC6H13NO3
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name2-(2-ethoxyethoxy)-N-tritioacetamide
SMILES[3H]NC(=O)COCCOCC
InChIInChI=1S/C6H13NO3/c1-2-9-3-4-10-5-6(7)8/h2-5H2,1H3,(H2,7,8)/i/hT
InChIKeyNHCPQLWQFVVDHX-MNYXATJNSA-N
XLogP-0.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-ethoxyethoxy)acetyl] 2-(2-ethoxyethoxy)ethaneperoxoate
CID 175124878
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
2-ethoxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 175750178
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
1-(2-ethoxyethoxy)-3,3-dimethylbutan-2-one;methane
CID 158371084
2-(2-ethoxyethoxy)-N-ethyl-N-methylacetamide
CID 143737672
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)
CID 87594792

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-N-tritioacetamide?
The IUPAC name of 2-(2-ethoxyethoxy)-N-tritioacetamide (CID 159131304) is 2-(2-ethoxyethoxy)-N-tritioacetamide.
What is the SMILES notation for 2-(2-ethoxyethoxy)-N-tritioacetamide?
The canonical SMILES for 2-(2-ethoxyethoxy)-N-tritioacetamide is [3H]NC(=O)COCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)-N-tritioacetamide?
The InChIKey is NHCPQLWQFVVDHX-MNYXATJNSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-9-3-4-10-5-6(7)8/h2-5H2,1H3,(H2,7,8)/i/hT.
What are the key properties of 2-(2-ethoxyethoxy)-N-tritioacetamide?
2-(2-ethoxyethoxy)-N-tritioacetamide has a molecular weight of 149.18 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-N-tritioacetamide is sourced from PubChem (CID 159131304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).