1-cyclohexyl-3-(4-hexylphenyl)urea

C19H30N2O — CID 4231179

IUPAC1-cyclohexyl-3-(4-hexylphenyl)urea
SMILESCCCCCCc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-2-3-4-6-9-16-12-14-18(15-13-16)21-19(22)20-17-10-7-5-8-11-17/h12-15,17H,2-11H2,1H3,(H2,20,21,22)
InChIKeyJMNUIXYTYDXDFM-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.26
Rot. Bonds7

About 1-cyclohexyl-3-(4-hexylphenyl)urea

1-cyclohexyl-3-(4-hexylphenyl)urea (PubChem CID 4231179) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-hexylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-hexylphenyl)urea
PubChem CID4231179
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-cyclohexyl-3-(4-hexylphenyl)urea
SMILESCCCCCCc1ccc(NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c1-2-3-4-6-9-16-12-14-18(15-13-16)21-19(22)20-17-10-7-5-8-11-17/h12-15,17H,2-11H2,1H3,(H2,20,21,22)
InChIKeyJMNUIXYTYDXDFM-UHFFFAOYSA-N
XLogP5.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
1-(1,1-dimethylpiperidin-1-ium-4-yl)-3-(4-octylphenyl)urea;2,2,2-trifluoroacetate
CID 68847192
1-cyclohexyl-3-[4-(hydroxymethyl)phenyl]urea
CID 64793584
N-[1-[4-(cyclohexylcarbamothioylamino)phenyl]dodecan-5-yl]-2-hydrazinyl-2-oxoacetamide
CID 157250205
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-cyclohexyl-4-(4-pentylphenyl)benzamide
CID 3315464
1-cyclopentyl-3-[4-(methylaminomethyl)phenyl]urea
CID 106911506
butyl 4-(cyclohexylcarbamoylamino)benzoate
CID 5108905
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-cyclopentyl-3-(4-propoxyphenyl)urea
CID 110774502
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-hexylphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-hexylphenyl)urea (CID 4231179) is 1-cyclohexyl-3-(4-hexylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-hexylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-hexylphenyl)urea is CCCCCCc1ccc(NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-hexylphenyl)urea?
The InChIKey is JMNUIXYTYDXDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-3-4-6-9-16-12-14-18(15-13-16)21-19(22)20-17-10-7-5-8-11-17/h12-15,17H,2-11H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclohexyl-3-(4-hexylphenyl)urea?
1-cyclohexyl-3-(4-hexylphenyl)urea has a molecular weight of 302.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-hexylphenyl)urea is sourced from PubChem (CID 4231179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).