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

C12H18N2O2 — CID 47103272

IUPAC1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCCNC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-8-9-16-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyMLKKHWAKLPDUOA-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.69
Rot. Bonds5

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

1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea (PubChem CID 47103272) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
PubChem CID47103272
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
SMILESCCNC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C12H18N2O2/c1-3-13-12(15)14-8-9-16-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyMLKKHWAKLPDUOA-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

1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
1-[3-(4-tert-butylphenoxy)propyl]-3-ethylurea
CID 108882801
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-(4-hydroxy-2-methylpentyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 111453932
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 110924287
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
1-(2-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970105

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea (CID 47103272) is 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea is CCNC(=O)NCCOc1ccc(C)cc1.
What is the InChIKey of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea?
The InChIKey is MLKKHWAKLPDUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-13-12(15)14-8-9-16-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea?
1-ethyl-3-[2-(4-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-(4-methylphenoxy)ethyl]urea is sourced from PubChem (CID 47103272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).