1-benzyl-3-(2,6-dimethoxyphenyl)urea

C16H18N2O3 — CID 108867833

IUPAC1-benzyl-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-20-13-9-6-10-14(21-2)15(13)18-16(19)17-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyZRJLBIBXPOMUFO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.03
Rot. Bonds5

About 1-benzyl-3-(2,6-dimethoxyphenyl)urea

1-benzyl-3-(2,6-dimethoxyphenyl)urea (PubChem CID 108867833) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-benzyl-3-(2,6-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,6-dimethoxyphenyl)urea
PubChem CID108867833
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-benzyl-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O3/c1-20-13-9-6-10-14(21-2)15(13)18-16(19)17-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyZRJLBIBXPOMUFO-UHFFFAOYSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(3-methoxy-2-methylphenyl)urea
CID 2823230
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
1-benzyl-3-(2,6-dimethylphenyl)urea
CID 2823182
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
CID 108867808
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869
1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
CID 108867914
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971392
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,6-dimethoxyphenyl)urea?
The IUPAC name of 1-benzyl-3-(2,6-dimethoxyphenyl)urea (CID 108867833) is 1-benzyl-3-(2,6-dimethoxyphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,6-dimethoxyphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2,6-dimethoxyphenyl)urea is COc1cccc(OC)c1NC(=O)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2,6-dimethoxyphenyl)urea?
The InChIKey is ZRJLBIBXPOMUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-13-9-6-10-14(21-2)15(13)18-16(19)17-11-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2,6-dimethoxyphenyl)urea?
1-benzyl-3-(2,6-dimethoxyphenyl)urea has a molecular weight of 286.33 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,6-dimethoxyphenyl)urea is sourced from PubChem (CID 108867833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).