1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea

C13H18N2O2 — CID 108903488

IUPAC1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCOCCNC(=O)N/C=C/c1ccccc1C
InChIInChI=1S/C13H18N2O2/c1-11-5-3-4-6-12(11)7-8-14-13(16)15-9-10-17-2/h3-8H,9-10H2,1-2H3,(H2,14,15,16)/b8-7+
InChIKeyGPVIYSJORGRIJX-BQYQJAHWSA-N
MW234.30 g/mol
LogP1.91
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea

1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (PubChem CID 108903488) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
PubChem CID108903488
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCOCCNC(=O)N/C=C/c1ccccc1C
InChIInChI=1S/C13H18N2O2/c1-11-5-3-4-6-12(11)7-8-14-13(16)15-9-10-17-2/h3-8H,9-10H2,1-2H3,(H2,14,15,16)/b8-7+
InChIKeyGPVIYSJORGRIJX-BQYQJAHWSA-N
XLogP1.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.91
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-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
CID 108903493
1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903690
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472
N-[(E)-2-(2-methylphenyl)ethenyl]naphthalene-2-carboxamide
CID 71501497
1-[1-(4-methoxyphenyl)ethyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903526
1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903510
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
3-[(E)-2-(2-methylphenyl)ethenyl]-1,1-bis(2-methylpropyl)urea
CID 108903693
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108904515
1-(2-methoxyethyl)-3-[2-(2-methylphenoxy)phenyl]urea
CID 110426455
1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903627

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (CID 108903488) is 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea is COCCNC(=O)N/C=C/c1ccccc1C.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The InChIKey is GPVIYSJORGRIJX-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-11-5-3-4-6-12(11)7-8-14-13(16)15-9-10-17-2/h3-8H,9-10H2,1-2H3,(H2,14,15,16)/b8-7+.
What are the key properties of 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea has a molecular weight of 234.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108903488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).