1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea

C17H26N2O — CID 47132646

IUPAC1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC2CCCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-10-13(2)16(14(3)11-12)19-17(20)18-15-8-6-4-5-7-9-15/h10-11,15H,4-9H2,1-3H3,(H2,18,19,20)
InChIKeyQQBKHRXLEIQCBK-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.46
Rot. Bonds2

About 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea

1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea (PubChem CID 47132646) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
PubChem CID47132646
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC2CCCCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-12-10-13(2)16(14(3)11-12)19-17(20)18-15-8-6-4-5-7-9-15/h10-11,15H,4-9H2,1-3H3,(H2,18,19,20)
InChIKeyQQBKHRXLEIQCBK-UHFFFAOYSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Isoproturon
CID 36679
Monodesmethylisoproturon
CID 182167
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
Recainam
CID 53084
N-(4-Methylphenyl)-N'-(4-phenylbutyl)urea
CID 24818670
1-(2-Methylphenyl)-3-(4-phenylbutyl)urea
CID 24819105
1-(2,4-Dimethylphenyl)-3-propylurea
CID 295350
1-Cyclohexyl-3-(2,6-xylyl)urea
CID 794703
1-Cyclohexyl-3-(2-ethylphenyl)urea
CID 853789
N-butyl-N'-(2,6-diisopropylphenyl)urea
CID 4205306
N-(2,6-Dimethylphenyl)urea
CID 96953

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea (CID 47132646) is 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NC2CCCCCC2)c(C)c1.
What is the InChIKey of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is QQBKHRXLEIQCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-10-13(2)16(14(3)11-12)19-17(20)18-15-8-6-4-5-7-9-15/h10-11,15H,4-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea?
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 274.41 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 47132646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).