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

C20H26N2O4 — CID 113217284

IUPAC1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O4/c1-13-6-7-16(10-14(13)2)22-20(23)21-9-8-15-11-18(25-4)19(26-5)12-17(15)24-3/h6-7,10-12H,8-9H2,1-5H3,(H2,21,22,23)
InChIKeyIYPCREYHQXTBFA-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.69
Rot. Bonds7

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

1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217284) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217284
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H26N2O4/c1-13-6-7-16(10-14(13)2)22-20(23)21-9-8-15-11-18(25-4)19(26-5)12-17(15)24-3/h6-7,10-12H,8-9H2,1-5H3,(H2,21,22,23)
InChIKeyIYPCREYHQXTBFA-UHFFFAOYSA-N
XLogP3.69
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
1-(4-acetylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217327
1-(3-cyanophenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217348
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 60544439
1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-(3,4-dimethylphenyl)-3-[2-(4,5-dimethylthiophen-3-yl)ethyl]urea
CID 22575158
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-[2-(2-bromophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 49110917

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (CID 113217284) is 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(OC)c(OC)cc1CCNC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is IYPCREYHQXTBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-6-7-16(10-14(13)2)22-20(23)21-9-8-15-11-18(25-4)19(26-5)12-17(15)24-3/h6-7,10-12H,8-9H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 358.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).