3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea

C14H22N2O — CID 115695066

IUPAC3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
SMILESCc1ccc(N(C)C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-7-8-12(11(2)9-10)16(6)13(17)15-14(3,4)5/h7-9H,1-6H3,(H,15,17)
InChIKeyMVKWQGBAIOYIRZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.25
Rot. Bonds1

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

3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea (PubChem CID 115695066) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea.

Molecular Properties

Compound Name3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
PubChem CID115695066
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
SMILESCc1ccc(N(C)C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C14H22N2O/c1-10-7-8-12(11(2)9-10)16(6)13(17)15-14(3,4)5/h7-9H,1-6H3,(H,15,17)
InChIKeyMVKWQGBAIOYIRZ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655388
3-tert-butyl-1-methyl-1-(4-methylphenyl)urea
CID 116655410
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-oxobut-2-enoic acid
CID 76930790
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341
[amino-(N,2,4-trimethylanilino)methylidene]urea
CID 57266541
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid
CID 62002129
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 62003259
3-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66030256
N-(2,4-dimethylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138834

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea?
The IUPAC name of 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea (CID 115695066) is 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea.
What is the SMILES notation for 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea?
The canonical SMILES for 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea is Cc1ccc(N(C)C(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea?
The InChIKey is MVKWQGBAIOYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-7-8-12(11(2)9-10)16(6)13(17)15-14(3,4)5/h7-9H,1-6H3,(H,15,17).
What are the key properties of 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea?
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea has a molecular weight of 234.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea is sourced from PubChem (CID 115695066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).