1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea

C19H24N2O3 — CID 108883788

IUPAC1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCCOc1ccc(NC(=O)NCCCOc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-3-23-17-11-9-16(10-12-17)21-19(22)20-13-6-14-24-18-8-5-4-7-15(18)2/h4-5,7-12H,3,6,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyVJRGNBOVFRWJBD-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.98
Rot. Bonds8

About 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883788) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883788
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCCOc1ccc(NC(=O)NCCCOc2ccccc2C)cc1
InChIInChI=1S/C19H24N2O3/c1-3-23-17-11-9-16(10-12-17)21-19(22)20-13-6-14-24-18-8-5-4-7-15(18)2/h4-5,7-12H,3,6,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyVJRGNBOVFRWJBD-UHFFFAOYSA-N
XLogP3.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.98
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-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972292
1-(4-acetylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969860
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(4-ethoxyphenyl)-3-(2-quinolin-8-yloxyethyl)urea
CID 112976064
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883788) is 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea is CCOc1ccc(NC(=O)NCCCOc2ccccc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is VJRGNBOVFRWJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-23-17-11-9-16(10-12-17)21-19(22)20-13-6-14-24-18-8-5-4-7-15(18)2/h4-5,7-12H,3,6,13-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.98, 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-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).