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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Related Compounds

3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 4250092
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
CID 108947379
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562576
1-ethyl-1-[(3-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 24528941
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2,4-dimethoxybenzamide
CID 86982939
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
2-(diethylcarbamoylamino)-5-methoxybenzoic acid
CID 113304987
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
N-(2,4-dimethoxyphenyl)-2-(2-ethylphenoxy)propanamide
CID 46763983
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 8692437

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).