1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

C20H26N2O2 — CID 112974629

IUPAC1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCCN(C(=O)NCCOc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-5-22(18-9-7-6-8-10-18)20(23)21-11-12-24-19-16(3)13-15(2)14-17(19)4/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyXEYWGUCUIRROTK-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.23
Rot. Bonds6

About 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea

1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (PubChem CID 112974629) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
PubChem CID112974629
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
SMILESCCN(C(=O)NCCOc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-5-22(18-9-7-6-8-10-18)20(23)21-11-12-24-19-16(3)13-15(2)14-17(19)4/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23)
InChIKeyXEYWGUCUIRROTK-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]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

3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112974161
3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053
3-[2-(2-bromophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112971088
1-benzyl-3-[3-(2,6-dimethylphenoxy)propyl]-1-phenylurea
CID 108881750
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
CID 112970324
3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
1-methyl-1-phenyl-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974328
3-[3-(2-bromo-4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882037
1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972497

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The IUPAC name of 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea (CID 112974629) is 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is CCN(C(=O)NCCOc1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
The InChIKey is XEYWGUCUIRROTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-22(18-9-7-6-8-10-18)20(23)21-11-12-24-19-16(3)13-15(2)14-17(19)4/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,23).
What are the key properties of 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea?
1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).