1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea

C18H22N2O2 — CID 108870703

IUPAC1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCOc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-4-15-6-8-16(9-7-15)20-18(21)19-12-22-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeySLSTWCDZBFGRPM-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.02
Rot. Bonds5

About 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea

1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea (PubChem CID 108870703) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea
PubChem CID108870703
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCOc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-4-15-6-8-16(9-7-15)20-18(21)19-12-22-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21)
InChIKeySLSTWCDZBFGRPM-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea 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

1-(4-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870572
1-(4-tert-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870775
1-[(2,4-dimethylphenoxy)methyl]-3-(3,4-dimethylphenyl)urea
CID 108870709
3-[(2,4-dimethylphenoxy)methylcarbamoylamino]benzoic acid
CID 108870540
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
1-[(2-tert-butyl-4-methylphenoxy)methyl]-3-(4-methylphenyl)urea
CID 108877472
1-[(2,4-dimethylphenoxy)methyl]-3-(1-hydroxybutan-2-yl)urea
CID 108870738
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699
1-[(2-tert-butyl-4-methylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108877565
1-[(2,4-dimethylphenoxy)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 108870558

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea (CID 108870703) is 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCOc2ccc(C)cc2C)cc1.
What is the InChIKey of 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea?
The InChIKey is SLSTWCDZBFGRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-15-6-8-16(9-7-15)20-18(21)19-12-22-17-10-5-13(2)11-14(17)3/h5-11H,4,12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea?
1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 108870703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).