1-tert-butyl-3-(2,6-dimethoxyphenyl)urea

C13H20N2O3 — CID 108867821

IUPAC1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15-12(16)14-11-9(17-4)7-6-8-10(11)18-5/h6-8H,1-5H3,(H2,14,15,16)
InChIKeyBZJMLUZARGMGHU-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.62
Rot. Bonds3

About 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea

1-tert-butyl-3-(2,6-dimethoxyphenyl)urea (PubChem CID 108867821) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
PubChem CID108867821
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NC(C)(C)C
InChIInChI=1S/C13H20N2O3/c1-13(2,3)15-12(16)14-11-9(17-4)7-6-8-10(11)18-5/h6-8H,1-5H3,(H2,14,15,16)
InChIKeyBZJMLUZARGMGHU-UHFFFAOYSA-N
XLogP2.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
CID 108867808
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
CID 108867914
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
CID 110671038
1-tert-butyl-3-[3-(tert-butylcarbamoylamino)-2-methylphenyl]urea
CID 58918478
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea?
The IUPAC name of 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea (CID 108867821) is 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea is COc1cccc(OC)c1NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea?
The InChIKey is BZJMLUZARGMGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,3)15-12(16)14-11-9(17-4)7-6-8-10(11)18-5/h6-8H,1-5H3,(H2,14,15,16).
What are the key properties of 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea?
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea has a molecular weight of 252.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2,6-dimethoxyphenyl)urea is sourced from PubChem (CID 108867821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).