1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea

C14H22N2O — CID 115169046

IUPAC1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O/c1-10-9-11(14(2,3)4)7-8-12(10)16(6)13(17)15-5/h7-9H,1-6H3,(H,15,17)
InChIKeyCKGPEFDFSGLQST-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.07
Rot. Bonds1

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

1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea (PubChem CID 115169046) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
PubChem CID115169046
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C14H22N2O/c1-10-9-11(14(2,3)4)7-8-12(10)16(6)13(17)15-5/h7-9H,1-6H3,(H,15,17)
InChIKeyCKGPEFDFSGLQST-UHFFFAOYSA-N
XLogP3.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
N-(4-tert-butyl-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173025
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
N-(4-tert-butyl-2-methylphenyl)-3-cyano-N-methylpropanamide
CID 115173683
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
CID 115169248
1-[(5-tert-butyl-2-fluorophenyl)carbamoyl]-1,3-dimethylurea
CID 23275444
2-(4-tert-butyl-N,2-dimethylanilino)cyclopropane-1-carboxylic acid
CID 117042600
1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135802
N-(2,4-ditert-butylphenyl)-N-methylacetamide
CID 517590

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea (CID 115169046) is 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea is CNC(=O)N(C)c1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea?
The InChIKey is CKGPEFDFSGLQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-9-11(14(2,3)4)7-8-12(10)16(6)13(17)15-5/h7-9H,1-6H3,(H,15,17).
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea?
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea has a molecular weight of 234.34 g/mol, XLogP of 3.07, 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-methylphenyl)-1,3-dimethylurea is sourced from PubChem (CID 115169046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).