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

C12H18N2O4 — CID 108867809

IUPAC1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1c(OC)cccc1OC
InChIInChI=1S/C12H18N2O4/c1-16-8-7-13-12(15)14-11-9(17-2)5-4-6-10(11)18-3/h4-6H,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyVAZHLIXZAYOIKE-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.47
Rot. Bonds6

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

1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea (PubChem CID 108867809) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
PubChem CID108867809
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)Nc1c(OC)cccc1OC
InChIInChI=1S/C12H18N2O4/c1-16-8-7-13-12(15)14-11-9(17-2)5-4-6-10(11)18-3/h4-6H,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyVAZHLIXZAYOIKE-UHFFFAOYSA-N
XLogP1.47
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
CID 108867808
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
CID 108867914
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
CID 75427067
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea (CID 108867809) is 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea is COCCNC(=O)Nc1c(OC)cccc1OC.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea?
The InChIKey is VAZHLIXZAYOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-8-7-13-12(15)14-11-9(17-2)5-4-6-10(11)18-3/h4-6H,7-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea?
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea has a molecular weight of 254.29 g/mol, XLogP of 1.47, 6 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-methoxyethyl)urea is sourced from PubChem (CID 108867809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).