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

C16H26N2O — CID 115169248

IUPAC1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-18(7)15(19)17-6/h8-9H,10H2,1-7H3,(H,17,19)
InChIKeyRADNKGILMCTNJF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.37
Rot. Bonds2

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

1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea (PubChem CID 115169248) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
PubChem CID115169248
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-18(7)15(19)17-6/h8-9H,10H2,1-7H3,(H,17,19)
InChIKeyRADNKGILMCTNJF-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.37
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-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214949
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
1,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 115169307
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686630
2,2,2-trifluoro-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]acetamide
CID 115190292
N'-[(4-tert-butyl-2,6-dimethylphenyl)methyl]oxamide
CID 115191842
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
CID 115169247

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea?
The IUPAC name of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea (CID 115169248) is 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea is CNC(=O)N(C)Cc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea?
The InChIKey is RADNKGILMCTNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-18(7)15(19)17-6/h8-9H,10H2,1-7H3,(H,17,19).
What are the key properties of 1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea?
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea has a molecular weight of 262.40 g/mol, XLogP of 3.37, 2 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)methyl]-1,3-dimethylurea is sourced from PubChem (CID 115169248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).