1-[(2-ethylphenoxy)methyl]-3-phenylurea

C16H18N2O2 — CID 108893317

IUPAC1-[(2-ethylphenoxy)methyl]-3-phenylurea
SMILESCCc1ccccc1OCNC(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-13-8-6-7-11-15(13)20-12-17-16(19)18-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H2,17,18,19)
InChIKeyGAZUDVYAYGOOBC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.41
Rot. Bonds5

About 1-[(2-ethylphenoxy)methyl]-3-phenylurea

1-[(2-ethylphenoxy)methyl]-3-phenylurea (PubChem CID 108893317) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(2-ethylphenoxy)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-ethylphenoxy)methyl]-3-phenylurea
PubChem CID108893317
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-[(2-ethylphenoxy)methyl]-3-phenylurea
SMILESCCc1ccccc1OCNC(=O)Nc1ccccc1
InChIInChI=1S/C16H18N2O2/c1-2-13-8-6-7-11-15(13)20-12-17-16(19)18-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H2,17,18,19)
InChIKeyGAZUDVYAYGOOBC-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.41
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-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
1-[4-(dimethylamino)phenyl]-3-[(2-ethylphenoxy)methyl]urea
CID 108893373
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
2-[(2-ethylphenoxy)methylcarbamoylamino]propanoic acid
CID 108893237
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476
1-(2-chloroethyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893263
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-phenylurea?
The IUPAC name of 1-[(2-ethylphenoxy)methyl]-3-phenylurea (CID 108893317) is 1-[(2-ethylphenoxy)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2-ethylphenoxy)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2-ethylphenoxy)methyl]-3-phenylurea is CCc1ccccc1OCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-[(2-ethylphenoxy)methyl]-3-phenylurea?
The InChIKey is GAZUDVYAYGOOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-13-8-6-7-11-15(13)20-12-17-16(19)18-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3,(H2,17,18,19).
What are the key properties of 1-[(2-ethylphenoxy)methyl]-3-phenylurea?
1-[(2-ethylphenoxy)methyl]-3-phenylurea has a molecular weight of 270.33 g/mol, XLogP of 3.41, 5 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-phenylurea is sourced from PubChem (CID 108893317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).