2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate

C8H16INO4 — CID 158533955

IUPAC2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
SMILESCNC(=O)OCCOCCOCCI
InChIInChI=1S/C8H16INO4/c1-10-8(11)14-7-6-13-5-4-12-3-2-9/h2-7H2,1H3,(H,10,11)
InChIKeyAJNMBOAJCIIYPX-UHFFFAOYSA-N
MW317.12 g/mol
LogP0.81
Rot. Bonds8

About 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate

2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate (PubChem CID 158533955) has the molecular formula C8H16INO4 and a molecular weight of 317.12 g/mol. Its IUPAC name is 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
PubChem CID158533955
Molecular FormulaC8H16INO4
Molecular Weight317.12 g/mol
Exact Mass317.01
IUPAC Name2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate
SMILESCNC(=O)OCCOCCOCCI
InChIInChI=1S/C8H16INO4/c1-10-8(11)14-7-6-13-5-4-12-3-2-9/h2-7H2,1H3,(H,10,11)
InChIKeyAJNMBOAJCIIYPX-UHFFFAOYSA-N
XLogP0.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.12
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-methylcarbamate
CID 142392004
2-[2-(methylamino)ethoxy]ethyl N-methylcarbamate
CID 87799923
2-(2-chloroethoxy)ethyl N-methylcarbamate
CID 103970595
2-(2-iodoethoxy)ethyl N-tert-butylcarbamate
CID 91125115
2-[2-(ethylamino)ethoxy]ethyl N-methylcarbamate
CID 87801035
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
iodomethyl N-methylcarbamate
CID 88927146
tert-butyl N-[2-[2-(2-iodoethoxy)ethoxy]ethoxy]carbamate
CID 59981200
5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
ethane;propyl N-methylcarbamate
CID 142560404
2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate
CID 146363866
2-(methylcarbamoyloxy)ethyl 2-methylbutanoate
CID 160943792

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate?
The IUPAC name of 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate (CID 158533955) is 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate?
The canonical SMILES for 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate is CNC(=O)OCCOCCOCCI.
What is the InChIKey of 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate?
The InChIKey is AJNMBOAJCIIYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO4/c1-10-8(11)14-7-6-13-5-4-12-3-2-9/h2-7H2,1H3,(H,10,11).
What are the key properties of 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate?
2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate has a molecular weight of 317.12 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodoethoxy)ethoxy]ethyl N-methylcarbamate is sourced from PubChem (CID 158533955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).