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

C12H18N2O2 — CID 47307518

IUPAC1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCCNC(=O)NCCOc1ccccc1C
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-8-9-16-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyWFVUYAXSKINBRE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.69
Rot. Bonds5

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

1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea (PubChem CID 47307518) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
PubChem CID47307518
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
SMILESCCNC(=O)NCCOc1ccccc1C
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-8-9-16-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyWFVUYAXSKINBRE-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 111505101
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 86826143
2-amino-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119300070
3-[2-(2-methylphenoxy)ethyl]-1,1-dipropylurea
CID 112969805
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(2-methylphenoxy)ethyl]urea
CID 60544165

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea (CID 47307518) is 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea is CCNC(=O)NCCOc1ccccc1C.
What is the InChIKey of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea?
The InChIKey is WFVUYAXSKINBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-12(15)14-8-9-16-11-7-5-4-6-10(11)2/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea?
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea has a molecular weight of 222.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea is sourced from PubChem (CID 47307518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).