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

C19H24N2O2 — CID 112972093

IUPAC1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-4-16-6-8-17(9-7-16)23-12-11-20-19(22)21-18-10-5-14(2)13-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyYDHAEUCCIRUFOQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.07
Rot. Bonds6

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

1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea (PubChem CID 112972093) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
PubChem CID112972093
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H24N2O2/c1-4-16-6-8-17(9-7-16)23-12-11-20-19(22)21-18-10-5-14(2)13-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H2,20,21,22)
InChIKeyYDHAEUCCIRUFOQ-UHFFFAOYSA-N
XLogP4.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.07
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-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
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-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
1-(2,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901898
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458
1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 112972181
1-(4-bromo-2-methylphenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974036

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea (CID 112972093) is 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea is CCc1ccc(OCCNC(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The InChIKey is YDHAEUCCIRUFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-16-6-8-17(9-7-16)23-12-11-20-19(22)21-18-10-5-14(2)13-15(18)3/h5-10,13H,4,11-12H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea has a molecular weight of 312.41 g/mol, XLogP of 4.07, 6 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-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112972093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).