1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea

C17H20N2O3 — CID 51244378

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-3-5-14(6-4-13)19-17(20)18-11-12-22-16-9-7-15(21-2)8-10-16/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyFSVVRMXSPUKZPG-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.20
Rot. Bonds6

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

1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea (PubChem CID 51244378) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
PubChem CID51244378
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-3-5-14(6-4-13)19-17(20)18-11-12-22-16-9-7-15(21-2)8-10-16/h3-10H,11-12H2,1-2H3,(H2,18,19,20)
InChIKeyFSVVRMXSPUKZPG-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560
1-[2-(4-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 727799
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
1-[3-(4-methylphenoxy)propyl]-3-(4-sulfamoylphenyl)urea
CID 108881255
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea (CID 51244378) is 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea is COc1ccc(OCCNC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea?
The InChIKey is FSVVRMXSPUKZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-3-5-14(6-4-13)19-17(20)18-11-12-22-16-9-7-15(21-2)8-10-16/h3-10H,11-12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea?
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea has a molecular weight of 300.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 51244378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).