1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea

C19H22N2O3 — CID 112971952

IUPAC1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
SMILESCCc1cccc(OCCNC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-3-15-5-4-6-18(13-15)24-12-11-20-19(23)21-17-9-7-16(8-10-17)14(2)22/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyZNPSMXHXEJWDGV-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.65
Rot. Bonds7

About 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea

1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea (PubChem CID 112971952) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
PubChem CID112971952
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
SMILESCCc1cccc(OCCNC(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-3-15-5-4-6-18(13-15)24-12-11-20-19(23)21-17-9-7-16(8-10-17)14(2)22/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23)
InChIKeyZNPSMXHXEJWDGV-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.65
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

ethyl 4-[2-(3-ethylphenoxy)ethylcarbamoylamino]benzoate
CID 112971975
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
1-(3-cyanophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971990
1-(2,6-difluorophenyl)-3-[2-(3-ethylphenoxy)ethyl]urea
CID 112971994
1-[2-(3-ethylphenoxy)ethyl]-3-(2-fluorophenyl)urea
CID 112971923
butyl 4-[3-(3-acetamidophenoxy)propylcarbamoylamino]benzoate
CID 3338314
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
1-[4-(dimethylamino)phenyl]-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973082
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112976719
1-[2-(3-ethylphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112971837
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea (CID 112971952) is 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea is CCc1cccc(OCCNC(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
The InChIKey is ZNPSMXHXEJWDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-15-5-4-6-18(13-15)24-12-11-20-19(23)21-17-9-7-16(8-10-17)14(2)22/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea?
1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea has a molecular weight of 326.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(3-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112971952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).