2-ethoxy-N-iodoacetamide

C4H8INO2 — CID 153012942

IUPAC2-ethoxy-N-iodoacetamide
SMILESCCOCC(=O)NI
InChIInChI=1S/C4H8INO2/c1-2-8-3-4(7)6-5/h2-3H2,1H3,(H,6,7)
InChIKeyVAKDSAJDQMESDB-UHFFFAOYSA-N
MW229.02 g/mol
LogP0.49
Rot. Bonds3

About 2-ethoxy-N-iodoacetamide

2-ethoxy-N-iodoacetamide (PubChem CID 153012942) has the molecular formula C4H8INO2 and a molecular weight of 229.02 g/mol. Its IUPAC name is 2-ethoxy-N-iodoacetamide.

Molecular Properties

Compound Name2-ethoxy-N-iodoacetamide
PubChem CID153012942
Molecular FormulaC4H8INO2
Molecular Weight229.02 g/mol
Exact Mass228.96
IUPAC Name2-ethoxy-N-iodoacetamide
SMILESCCOCC(=O)NI
InChIInChI=1S/C4H8INO2/c1-2-8-3-4(7)6-5/h2-3H2,1H3,(H,6,7)
InChIKeyVAKDSAJDQMESDB-UHFFFAOYSA-N
XLogP0.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-iodoacetamide?
The IUPAC name of 2-ethoxy-N-iodoacetamide (CID 153012942) is 2-ethoxy-N-iodoacetamide.
What is the SMILES notation for 2-ethoxy-N-iodoacetamide?
The canonical SMILES for 2-ethoxy-N-iodoacetamide is CCOCC(=O)NI.
What is the InChIKey of 2-ethoxy-N-iodoacetamide?
The InChIKey is VAKDSAJDQMESDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2/c1-2-8-3-4(7)6-5/h2-3H2,1H3,(H,6,7).
What are the key properties of 2-ethoxy-N-iodoacetamide?
2-ethoxy-N-iodoacetamide has a molecular weight of 229.02 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-iodoacetamide is sourced from PubChem (CID 153012942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).