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

C18H22N2O3 — CID 112970105

IUPAC1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C18H22N2O3/c1-3-22-17-7-5-4-6-16(17)20-18(21)19-12-13-23-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyAZNOUOLTGJTUAM-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds7

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

1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea (PubChem CID 112970105) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
PubChem CID112970105
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C18H22N2O3/c1-3-22-17-7-5-4-6-16(17)20-18(21)19-12-13-23-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyAZNOUOLTGJTUAM-UHFFFAOYSA-N
XLogP3.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.59
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-methoxyphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881211
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-ethoxyphenyl)urea
CID 112973367
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(2,3-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881295
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
butyl 2-[3-(4-methylphenoxy)propylcarbamoylamino]benzoate
CID 108881291
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea (CID 112970105) is 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea is CCOc1ccccc1NC(=O)NCCOc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
The InChIKey is AZNOUOLTGJTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-22-17-7-5-4-6-16(17)20-18(21)19-12-13-23-15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea?
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112970105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).