1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea

C18H22N2O4 — CID 108868095

IUPAC1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)Nc1c(OC)cccc1OC
InChIInChI=1S/C18H22N2O4/c1-22-14-8-5-4-7-13(14)11-12-19-18(21)20-17-15(23-2)9-6-10-16(17)24-3/h4-10H,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyDHWVRVGSWFNWLC-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.08
Rot. Bonds7

About 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea

1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 108868095) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID108868095
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)Nc1c(OC)cccc1OC
InChIInChI=1S/C18H22N2O4/c1-22-14-8-5-4-7-13(14)11-12-19-18(21)20-17-15(23-2)9-6-10-16(17)24-3/h4-10H,11-12H2,1-3H3,(H2,19,20,21)
InChIKeyDHWVRVGSWFNWLC-UHFFFAOYSA-N
XLogP3.08
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylphenyl)urea
CID 6464688
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 110606666
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812054
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
N-[4-[2-(2-methoxyphenyl)ethylcarbamoylamino]butyl]acetamide
CID 110609793
1-(2,6-diethylphenyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217295
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea (CID 108868095) is 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)Nc1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is DHWVRVGSWFNWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-22-14-8-5-4-7-13(14)11-12-19-18(21)20-17-15(23-2)9-6-10-16(17)24-3/h4-10H,11-12H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea?
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 330.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108868095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).