1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea

C12H18N2O — CID 115169018

IUPAC1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
SMILESCNC(=O)N(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C12H18N2O/c1-8-6-10(3)11(7-9(8)2)14(5)12(15)13-4/h6-7H,1-5H3,(H,13,15)
InChIKeyRNRGMSXRBBQSJZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.39
Rot. Bonds1

About 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea

1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea (PubChem CID 115169018) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
PubChem CID115169018
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
SMILESCNC(=O)N(C)c1cc(C)c(C)cc1C
InChIInChI=1S/C12H18N2O/c1-8-6-10(3)11(7-9(8)2)14(5)12(15)13-4/h6-7H,1-5H3,(H,13,15)
InChIKeyRNRGMSXRBBQSJZ-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.39
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
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
2-amino-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 82492268
2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
1-(5-tert-butyl-2-methoxyphenyl)-1,3-dimethylurea
CID 115168970
methyl 2-(4-methoxy-N,2,5-trimethylanilino)-2-oxoacetate
CID 115142263
3-methyl-4-oxo-4-(N,2,4,5-tetramethylanilino)butanoic acid
CID 115164533
4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
CID 115157554
3-ethyl-1-sulfanyl-1-(2,4,5-trimethylphenyl)urea
CID 88791451
3-amino-1-(2,5-dimethylphenyl)-1-methylurea
CID 115192449

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea?
The IUPAC name of 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea (CID 115169018) is 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea is CNC(=O)N(C)c1cc(C)c(C)cc1C.
What is the InChIKey of 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea?
The InChIKey is RNRGMSXRBBQSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-6-10(3)11(7-9(8)2)14(5)12(15)13-4/h6-7H,1-5H3,(H,13,15).
What are the key properties of 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea?
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea has a molecular weight of 206.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea is sourced from PubChem (CID 115169018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).