1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C20H26N2O3 — CID 112972292

IUPAC1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCOc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-24-17-11-9-16(10-12-17)22-20(23)21-13-14-25-19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyDNPVIPVISFBRDS-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.41
Rot. Bonds8

About 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972292) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972292
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCOc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-24-17-11-9-16(10-12-17)22-20(23)21-13-14-25-19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H2,21,22,23)
InChIKeyDNPVIPVISFBRDS-UHFFFAOYSA-N
XLogP4.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.41
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-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788
1-(3,4-difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972335
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(3-cyanophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972330
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 112972292) is 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is CCOc1ccc(NC(=O)NCCOc2ccccc2C(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is DNPVIPVISFBRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-24-17-11-9-16(10-12-17)22-20(23)21-13-14-25-19-8-6-5-7-18(19)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).