1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea

C15H24N2O — CID 115169017

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-10-8-12(15(3,4)5)9-11(2)13(10)17(7)14(18)16-6/h8-9H,1-7H3,(H,16,18)
InChIKeyJIXNYEOQQOWYNO-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.38
Rot. Bonds1

About 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea

1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea (PubChem CID 115169017) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
PubChem CID115169017
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-10-8-12(15(3,4)5)9-11(2)13(10)17(7)14(18)16-6/h8-9H,1-7H3,(H,16,18)
InChIKeyJIXNYEOQQOWYNO-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
CID 115170748
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
CID 115169248
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
CID 117041855
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
2,2-dimethyl-3-oxo-3-(N,2,4,6-tetramethylanilino)propanoic acid
CID 115163983
1,3-dimethyl-1-pyrimidin-2-ylurea
CID 166732350
1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea
CID 23275444

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea (CID 115169017) is 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea is CNC(=O)N(C)c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea?
The InChIKey is JIXNYEOQQOWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-12(15(3,4)5)9-11(2)13(10)17(7)14(18)16-6/h8-9H,1-7H3,(H,16,18).
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea?
1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea has a molecular weight of 248.37 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea is sourced from PubChem (CID 115169017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).