3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea

C11H15IN2O2 — CID 47324452

IUPAC3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2/c1-14(7-8-16-2)11(15)13-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyXGDAFKVINIPRAO-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.40
Rot. Bonds4

About 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea

3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea (PubChem CID 47324452) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea
PubChem CID47324452
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea
SMILESCOCCN(C)C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H15IN2O2/c1-14(7-8-16-2)11(15)13-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15)
InChIKeyXGDAFKVINIPRAO-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea 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

3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
3-(4-iodophenyl)-1-methyl-1-(2-phenylethyl)urea
CID 47258233
3-(4-chloro-3-nitrophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324672
1-(2-methoxyethyl)-1-methyl-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 145340178
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062388
3-(4-aminophenyl)-1-ethyl-1-(2-methoxyethyl)urea
CID 54948448
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129
2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
2-hydroxy-4-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62997586
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea (CID 47324452) is 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea is COCCN(C)C(=O)Nc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea?
The InChIKey is XGDAFKVINIPRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-14(7-8-16-2)11(15)13-10-5-3-9(12)4-6-10/h3-6H,7-8H2,1-2H3,(H,13,15).
What are the key properties of 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea?
3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea has a molecular weight of 334.16 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 47324452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).