1-tert-butyl-3-(3,5-dimethylphenyl)urea

C13H20N2O — CID 6469320

IUPAC1-tert-butyl-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9-6-10(2)8-11(7-9)14-12(16)15-13(3,4)5/h6-8H,1-5H3,(H2,14,15,16)
InChIKeyGXEITSGTMZVOAB-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.22
Rot. Bonds1

About 1-tert-butyl-3-(3,5-dimethylphenyl)urea

1-tert-butyl-3-(3,5-dimethylphenyl)urea (PubChem CID 6469320) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3,5-dimethylphenyl)urea
PubChem CID6469320
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-tert-butyl-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9-6-10(2)8-11(7-9)14-12(16)15-13(3,4)5/h6-8H,1-5H3,(H2,14,15,16)
InChIKeyGXEITSGTMZVOAB-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-(2,6-dibromo-4-methylphenyl)urea
CID 113218257
1-(3,5-dimethylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754283
1-tert-butyl-3-(3,5-dimethylphenyl)thiourea
CID 8620651
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
N-tert-butyl-2-[(3,5-dimethylphenyl)carbamoyl-methylamino]acetamide
CID 86986936
1-tert-butyl-3-(3-methyl-4-nitrophenyl)urea
CID 113224570
3-[(3-bromo-5-methylphenyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 107576678
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
2-[(3-bromo-5-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 107576585
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-tert-butyl-3-(3,5-dimethylphenyl)urea (CID 6469320) is 1-tert-butyl-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-tert-butyl-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)NC(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-3-(3,5-dimethylphenyl)urea?
The InChIKey is GXEITSGTMZVOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-6-10(2)8-11(7-9)14-12(16)15-13(3,4)5/h6-8H,1-5H3,(H2,14,15,16).
What are the key properties of 1-tert-butyl-3-(3,5-dimethylphenyl)urea?
1-tert-butyl-3-(3,5-dimethylphenyl)urea has a molecular weight of 220.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 6469320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).