3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea

C20H26N2O5 — CID 91832714

IUPAC3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea
SMILESCCN(Cc1cccc(OC)c1OC)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H26N2O5/c1-6-22(13-14-8-7-9-17(25-3)19(14)27-5)20(23)21-16-11-10-15(24-2)12-18(16)26-4/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyFSSJFFAAXORQAI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.78
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea

3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea (PubChem CID 91832714) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea
PubChem CID91832714
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea
SMILESCCN(Cc1cccc(OC)c1OC)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H26N2O5/c1-6-22(13-14-8-7-9-17(25-3)19(14)27-5)20(23)21-16-11-10-15(24-2)12-18(16)26-4/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyFSSJFFAAXORQAI-UHFFFAOYSA-N
XLogP3.78
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea (CID 91832714) is 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea is CCN(Cc1cccc(OC)c1OC)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea?
The InChIKey is FSSJFFAAXORQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-6-22(13-14-8-7-9-17(25-3)19(14)27-5)20(23)21-16-11-10-15(24-2)12-18(16)26-4/h7-12H,6,13H2,1-5H3,(H,21,23).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea?
3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea has a molecular weight of 374.44 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-ethylurea is sourced from PubChem (CID 91832714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).