3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea

C11H15IN2O2 — CID 100743856

IUPAC3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCOc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2/c1-14(2)11(15)13-7-8-16-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeySTHMATIPUHCGAS-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.94
Rot. Bonds4

About 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea

3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea (PubChem CID 100743856) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea
PubChem CID100743856
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCOc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2/c1-14(2)11(15)13-7-8-16-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeySTHMATIPUHCGAS-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
N-[2-(4-iodophenoxy)ethyl]-2-oxo-2-piperazin-1-ylacetamide
CID 166366091
1,1-dimethyl-3-[2-[1-(4-propoxyphenyl)ethylamino]ethyl]urea
CID 83112296
tert-butyl N-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695945
N-[2-(dimethylcarbamoylamino)ethyl]-4-ethoxybenzamide
CID 108572043
3-[2-(4-chlorophenoxy)ethyl]-1,1-diethylurea
CID 112970926
1-butyl-3-[2-(4-methoxyphenoxy)ethyl]-1-methylurea
CID 108990542
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
CID 60545386
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
methyl 11-(4-iodophenoxy)undecanoate
CID 58773804
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea (CID 100743856) is 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCOc1ccc(I)cc1.
What is the InChIKey of 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea?
The InChIKey is STHMATIPUHCGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-14(2)11(15)13-7-8-16-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea?
3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea has a molecular weight of 334.16 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-iodophenoxy)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 100743856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).