2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite

C11H21I2NO3 — CID 130361099

IUPAC2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite
SMILESO=C(COCCOI)NCCCCCCCI
InChIInChI=1S/C11H21I2NO3/c12-6-4-2-1-3-5-7-14-11(15)10-16-8-9-17-13/h1-10H2,(H,14,15)
InChIKeyGVZRORFGMFDINP-UHFFFAOYSA-N
MW469.10 g/mol
LogP2.87
Rot. Bonds12

About 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite

2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite (PubChem CID 130361099) has the molecular formula C11H21I2NO3 and a molecular weight of 469.10 g/mol. Its IUPAC name is 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite.

Molecular Properties

Compound Name2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite
PubChem CID130361099
Molecular FormulaC11H21I2NO3
Molecular Weight469.10 g/mol
Exact Mass468.96
IUPAC Name2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite
SMILESO=C(COCCOI)NCCCCCCCI
InChIInChI=1S/C11H21I2NO3/c12-6-4-2-1-3-5-7-14-11(15)10-16-8-9-17-13/h1-10H2,(H,14,15)
InChIKeyGVZRORFGMFDINP-UHFFFAOYSA-N
XLogP2.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-iodopentyl)-2-propoxyacetamide
CID 107941565
2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
2-[2-(2-methoxyethoxy)ethoxy]-N-[6-[6-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]hexyldisulfanyl]hexyl]acetamide
CID 15499688
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
2-[(4-fluorophenyl)methoxy]-N-(4-iodobutyl)acetamide
CID 58757082
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-[2-[2-[5-[[2-(2-butoxyethoxy)acetyl]amino]pentoxy]ethoxy]ethoxy]-N-methylacetamide
CID 134582817
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
N-(6-iodohexyl)butanamide
CID 107848130
N-[5-(5-acetamidopentoxy)pentyl]-2-methoxyacetamide;ethane
CID 163400462

Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite?
The IUPAC name of 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite (CID 130361099) is 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite.
What is the SMILES notation for 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite?
The canonical SMILES for 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite is O=C(COCCOI)NCCCCCCCI.
What is the InChIKey of 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite?
The InChIKey is GVZRORFGMFDINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21I2NO3/c12-6-4-2-1-3-5-7-14-11(15)10-16-8-9-17-13/h1-10H2,(H,14,15).
What are the key properties of 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite?
2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite has a molecular weight of 469.10 g/mol, XLogP of 2.87, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-iodoheptylamino)-2-oxoethoxy]ethyl hypoiodite is sourced from PubChem (CID 130361099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).