1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea

C19H24N2O3 — CID 112973367

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C19H24N2O3/c1-4-23-17-11-6-5-10-16(17)21-19(22)20-12-13-24-18-14(2)8-7-9-15(18)3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyFBDMYSYPMARGEM-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.90
Rot. Bonds7

About 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea

1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea (PubChem CID 112973367) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
PubChem CID112973367
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C19H24N2O3/c1-4-23-17-11-6-5-10-16(17)21-19(22)20-12-13-24-18-14(2)8-7-9-15(18)3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22)
InChIKeyFBDMYSYPMARGEM-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-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108881561
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
1-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
ethyl 2-[2-(2,4,6-trimethylphenoxy)ethylcarbamoylamino]benzoate
CID 112974677
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112973391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea (CID 112973367) is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)NCCOc1c(C)cccc1C.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea?
The InChIKey is FBDMYSYPMARGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-23-17-11-6-5-10-16(17)21-19(22)20-12-13-24-18-14(2)8-7-9-15(18)3/h5-11H,4,12-13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea?
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)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-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 112973367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).