1-(3,5-dimethoxyphenyl)-3-ethylurea

C11H16N2O3 — CID 75412825

IUPAC1-(3,5-dimethoxyphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16N2O3/c1-4-12-11(14)13-8-5-9(15-2)7-10(6-8)16-3/h5-7H,4H2,1-3H3,(H2,12,13,14)
InChIKeySGPJFGVHBBCVMK-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.85
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-ethylurea

1-(3,5-dimethoxyphenyl)-3-ethylurea (PubChem CID 75412825) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-ethylurea
PubChem CID75412825
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(3,5-dimethoxyphenyl)-3-ethylurea
SMILESCCNC(=O)Nc1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16N2O3/c1-4-12-11(14)13-8-5-9(15-2)7-10(6-8)16-3/h5-7H,4H2,1-3H3,(H2,12,13,14)
InChIKeySGPJFGVHBBCVMK-UHFFFAOYSA-N
XLogP1.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-ethylurea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-ethylurea (CID 75412825) is 1-(3,5-dimethoxyphenyl)-3-ethylurea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-ethylurea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-ethylurea is CCNC(=O)Nc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-ethylurea?
The InChIKey is SGPJFGVHBBCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-12-11(14)13-8-5-9(15-2)7-10(6-8)16-3/h5-7H,4H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-ethylurea?
1-(3,5-dimethoxyphenyl)-3-ethylurea has a molecular weight of 224.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-ethylurea is sourced from PubChem (CID 75412825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).