1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea

C19H24N2O3 — CID 112973189

IUPAC1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
SMILESCCOc1ccc(OCCNC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-8-10-17(11-9-16)24-13-12-20-19(22)21-18-14(2)6-5-7-15(18)3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyYCOZLTUPTABOKT-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.90
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea

1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea (PubChem CID 112973189) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
PubChem CID112973189
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
SMILESCCOc1ccc(OCCNC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-8-10-17(11-9-16)24-13-12-20-19(22)21-18-14(2)6-5-7-15(18)3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyYCOZLTUPTABOKT-UHFFFAOYSA-N
XLogP3.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972433
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-[2-(3,4-difluorophenoxy)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 112976378
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
1-[(3,4-dimethylphenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108879253
1-(3-chloropropyl)-3-(2,6-dimethylphenyl)urea
CID 13326597

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea (CID 112973189) is 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea is CCOc1ccc(OCCNC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
The InChIKey is YCOZLTUPTABOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-23-16-8-10-17(11-9-16)24-13-12-20-19(22)21-18-14(2)6-5-7-15(18)3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112973189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).