1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea

C18H22N2O2 — CID 112970080

IUPAC1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-4-7-16(8-5-13)22-11-10-19-18(21)20-17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyROWJVINYODEQFA-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.81
Rot. Bonds5

About 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea

1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea (PubChem CID 112970080) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
PubChem CID112970080
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCc1ccc(OCCNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H22N2O2/c1-13-4-7-16(8-5-13)22-11-10-19-18(21)20-17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21)
InChIKeyROWJVINYODEQFA-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 112975159
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458
4-methyl-3-[2-(4-methylphenoxy)ethylcarbamoylamino]benzamide
CID 60602931
N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
CID 4241326
1-(4-bromo-2-methylphenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974036
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea (CID 112970080) is 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea is Cc1ccc(OCCNC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
The InChIKey is ROWJVINYODEQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-4-7-16(8-5-13)22-11-10-19-18(21)20-17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112970080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).