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

C18H28N2O — CID 108888511

IUPAC1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCC2CCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-11-14(2)17(15(3)12-13)20-18(21)19-10-9-16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3,(H2,19,20,21)
InChIKeyQAUXYXKNTBUDEA-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.70
Rot. Bonds4

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

1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108888511) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID108888511
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCC2CCCCC2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13-11-14(2)17(15(3)12-13)20-18(21)19-10-9-16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3,(H2,19,20,21)
InChIKeyQAUXYXKNTBUDEA-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-(2-cyclohexylethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6460835
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803
1-(2-cyclopentylethyl)-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877830
3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
CID 2843030
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
CID 111976204
1-(2-cyclohexylethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108888595
1-[4-(1-aminoethyl)phenyl]-3-(2-cyclopentylethyl)urea
CID 61341143
N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide
CID 58994763
1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911711

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea (CID 108888511) is 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCCC2CCCCC2)c(C)c1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is QAUXYXKNTBUDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-11-14(2)17(15(3)12-13)20-18(21)19-10-9-16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea?
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 288.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108888511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).