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

C18H22N2O3 — CID 27871438

IUPAC1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
SMILESCCOc1ccc(OCCNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-22-16-7-9-17(10-8-16)23-12-11-19-18(21)20-15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyABLNDWMWEYCUKO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds7

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

1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea (PubChem CID 27871438) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
PubChem CID27871438
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
SMILESCCOc1ccc(OCCNC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-22-16-7-9-17(10-8-16)23-12-11-19-18(21)20-15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyABLNDWMWEYCUKO-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-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
N-[2-(4-ethoxyphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 30350207
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(2,4-dimethylphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973028
1-[2-(3-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971202

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea (CID 27871438) is 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea is CCOc1ccc(OCCNC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea?
The InChIKey is ABLNDWMWEYCUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-22-16-7-9-17(10-8-16)23-12-11-19-18(21)20-15-6-4-5-14(2)13-15/h4-10,13H,3,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea?
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)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-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 27871438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).