1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea

C17H20N2O4 — CID 2211603

IUPAC1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H20N2O4/c1-4-23-16-8-6-5-7-13(16)18-17(20)19-14-11-12(21-2)9-10-15(14)22-3/h5-11H,4H2,1-3H3,(H2,18,19,20)
InChIKeyAZBSARMVWSOEPF-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.75
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea

1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea (PubChem CID 2211603) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea
PubChem CID2211603
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H20N2O4/c1-4-23-16-8-6-5-7-13(16)18-17(20)19-14-11-12(21-2)9-10-15(14)22-3/h5-11H,4H2,1-3H3,(H2,18,19,20)
InChIKeyAZBSARMVWSOEPF-UHFFFAOYSA-N
XLogP3.75
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea (CID 2211603) is 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea is CCOc1ccccc1NC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea?
The InChIKey is AZBSARMVWSOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-23-16-8-6-5-7-13(16)18-17(20)19-14-11-12(21-2)9-10-15(14)22-3/h5-11H,4H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea?
1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea has a molecular weight of 316.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)urea is sourced from PubChem (CID 2211603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).