1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea

C17H20N2O3 — CID 108892216

IUPAC1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCCc1ccc(NC(=O)NCOc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O3/c1-3-13-8-10-14(11-9-13)19-17(20)18-12-22-16-7-5-4-6-15(16)21-2/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyPVANZGPLUXCTIA-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea

1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea (PubChem CID 108892216) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
PubChem CID108892216
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCCc1ccc(NC(=O)NCOc2ccccc2OC)cc1
InChIInChI=1S/C17H20N2O3/c1-3-13-8-10-14(11-9-13)19-17(20)18-12-22-16-7-5-4-6-15(16)21-2/h4-11H,3,12H2,1-2H3,(H2,18,19,20)
InChIKeyPVANZGPLUXCTIA-UHFFFAOYSA-N
XLogP3.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877128
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-[(2,4-dimethylphenoxy)methyl]-3-(4-ethylphenyl)urea
CID 108870703
1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea (CID 108892216) is 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea is CCc1ccc(NC(=O)NCOc2ccccc2OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The InChIKey is PVANZGPLUXCTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-13-8-10-14(11-9-13)19-17(20)18-12-22-16-7-5-4-6-15(16)21-2/h4-11H,3,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea?
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea is sourced from PubChem (CID 108892216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).