1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea

C17H20N2O3 — CID 969966

IUPAC1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H20N2O3/c1-4-22-14-8-6-13(7-9-14)18-17(20)19-15-11-12(2)5-10-16(15)21-3/h5-11H,4H2,1-3H3,(H2,18,19,20)
InChIKeySBABFWCEKQOOOE-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea

1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 969966) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea
PubChem CID969966
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H20N2O3/c1-4-22-14-8-6-13(7-9-14)18-17(20)19-15-11-12(2)5-10-16(15)21-3/h5-11H,4H2,1-3H3,(H2,18,19,20)
InChIKeySBABFWCEKQOOOE-UHFFFAOYSA-N
XLogP4.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea (CID 969966) is 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea is CCOc1ccc(NC(=O)Nc2cc(C)ccc2OC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is SBABFWCEKQOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-22-14-8-6-13(7-9-14)18-17(20)19-15-11-12(2)5-10-16(15)21-3/h5-11H,4H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea?
1-(4-ethoxyphenyl)-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 300.36 g/mol, XLogP of 4.05, 5 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-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 969966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).