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

C19H24N2O3 — CID 112973028

IUPAC1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-6-5-7-17(13-16)24-11-10-20-19(22)21-18-9-8-14(2)12-15(18)3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,20,21,22)
InChIKeyLSVIFEAQCMDUSE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.90
Rot. Bonds7

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

1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea (PubChem CID 112973028) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
PubChem CID112973028
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
SMILESCCOc1cccc(OCCNC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C19H24N2O3/c1-4-23-16-6-5-7-17(13-16)24-11-10-20-19(22)21-18-9-8-14(2)12-15(18)3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,20,21,22)
InChIKeyLSVIFEAQCMDUSE-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-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
1-[2-(4-chlorophenoxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 52590780
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-3-(2,4-dimethylphenyl)urea
CID 112975159
1-(4-bromo-2-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970416
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
N'-(2,4-dimethylphenyl)-N-(2-phenoxyethyl)oxamide
CID 4241326
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973111
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea (CID 112973028) is 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea is CCOc1cccc(OCCNC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
The InChIKey is LSVIFEAQCMDUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-23-16-6-5-7-17(13-16)24-11-10-20-19(22)21-18-9-8-14(2)12-15(18)3/h5-9,12-13H,4,10-11H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea?
1-(2,4-dimethylphenyl)-3-[2-(3-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-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112973028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).