1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea

C19H24N2O2 — CID 112971729

IUPAC1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCOc2ccccc2CC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-15-9-11-17(12-10-15)21-19(22)20-13-14-23-18-8-6-5-7-16(18)4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyXOPFOTKYLKOOOO-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.01
Rot. Bonds7

About 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea

1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea (PubChem CID 112971729) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
PubChem CID112971729
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCCOc2ccccc2CC)cc1
InChIInChI=1S/C19H24N2O2/c1-3-15-9-11-17(12-10-15)21-19(22)20-13-14-23-18-8-6-5-7-16(18)4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyXOPFOTKYLKOOOO-UHFFFAOYSA-N
XLogP4.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-ethylphenoxy)ethyl]-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-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971745
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-[2-(2-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112971807
1-[2-(2-ethylphenoxy)ethyl]-3-(2-phenylethyl)urea
CID 112971668
1-(2-tert-butylphenyl)-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971735
1-[2-(2-ethylphenoxy)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 112971654
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971684
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea (CID 112971729) is 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCCOc2ccccc2CC)cc1.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
The InChIKey is XOPFOTKYLKOOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-15-9-11-17(12-10-15)21-19(22)20-13-14-23-18-8-6-5-7-16(18)4-2/h5-12H,3-4,13-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea?
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea has a molecular weight of 312.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 112971729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).