1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea

C18H22N2O2 — CID 108893488

IUPAC1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCCc1ccccc1OCNC(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-3-15-9-6-7-11-17(15)22-13-20-18(21)19-12-16-10-5-4-8-14(16)2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyVQKSBQQIWUAULD-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.39
Rot. Bonds6

About 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea

1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 108893488) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID108893488
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
SMILESCCc1ccccc1OCNC(=O)NCc1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-3-15-9-6-7-11-17(15)22-13-20-18(21)19-12-16-10-5-4-8-14(16)2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21)
InChIKeyVQKSBQQIWUAULD-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263
1-[(4-chlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108885386
ethyl N-[2-[(2-ethylphenoxy)methylcarbamoylamino]ethyl]carbamate
CID 108893525
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
CID 108878458
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893462
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
CID 108893237
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea (CID 108893488) is 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is CCc1ccccc1OCNC(=O)NCc1ccccc1C.
What is the InChIKey of 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is VQKSBQQIWUAULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-15-9-6-7-11-17(15)22-13-20-18(21)19-12-16-10-5-4-8-14(16)2/h4-11H,3,12-13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea?
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108893488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).