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

C22H30N2O4 — CID 113217295

IUPAC1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C22H30N2O4/c1-6-15-9-8-10-16(7-2)21(15)24-22(25)23-12-11-17-13-19(27-4)20(28-5)14-18(17)26-3/h8-10,13-14H,6-7,11-12H2,1-5H3,(H2,23,24,25)
InChIKeyNQOGPFDZPFSWFR-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.20
Rot. Bonds9

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

1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217295) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217295
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C22H30N2O4/c1-6-15-9-8-10-16(7-2)21(15)24-22(25)23-12-11-17-13-19(27-4)20(28-5)14-18(17)26-3/h8-10,13-14H,6-7,11-12H2,1-5H3,(H2,23,24,25)
InChIKeyNQOGPFDZPFSWFR-UHFFFAOYSA-N
XLogP4.20
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217291
1-(3,4-dimethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217284
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-methyl-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 115169404
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
1-(2,6-diethylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975693
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217263
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
1-(3-chloro-4-methylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217307
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea (CID 113217295) is 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is CCc1cccc(CC)c1NC(=O)NCCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is NQOGPFDZPFSWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-6-15-9-8-10-16(7-2)21(15)24-22(25)23-12-11-17-13-19(27-4)20(28-5)14-18(17)26-3/h8-10,13-14H,6-7,11-12H2,1-5H3,(H2,23,24,25).
What are the key properties of 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea?
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 386.49 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).