1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

C21H28N2O4 — CID 113217291

IUPAC1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCCc1cccc(C)c1NC(=O)NCCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C21H28N2O4/c1-6-15-9-7-8-14(2)20(15)23-21(24)22-11-10-16-12-18(26-4)19(27-5)13-17(16)25-3/h7-9,12-13H,6,10-11H2,1-5H3,(H2,22,23,24)
InChIKeyAXIWLTJIZBJMJM-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.95
Rot. Bonds8

About 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea

1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217291) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217291
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCCc1cccc(C)c1NC(=O)NCCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C21H28N2O4/c1-6-15-9-7-8-14(2)20(15)23-21(24)22-11-10-16-12-18(26-4)19(27-5)13-17(16)25-3/h7-9,12-13H,6,10-11H2,1-5H3,(H2,22,23,24)
InChIKeyAXIWLTJIZBJMJM-UHFFFAOYSA-N
XLogP3.95
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]propanediamide
CID 108948559
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-(2-ethyl-6-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866639
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
1-[2-(2,3-dimethoxyphenyl)ethyl]-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 3518744
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217348
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217327

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (CID 113217291) is 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is CCc1cccc(C)c1NC(=O)NCCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is AXIWLTJIZBJMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-6-15-9-7-8-14(2)20(15)23-21(24)22-11-10-16-12-18(26-4)19(27-5)13-17(16)25-3/h7-9,12-13H,6,10-11H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 372.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).