1-cyclohexyl-3-(3-ethylpentan-3-yl)urea

C14H28N2O — CID 115660907

IUPAC1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
SMILESCCC(CC)(CC)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-4-14(5-2,6-3)16-13(17)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyUIVKEJSHDQYRIE-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.59
Rot. Bonds5

About 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea

1-cyclohexyl-3-(3-ethylpentan-3-yl)urea (PubChem CID 115660907) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
PubChem CID115660907
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-cyclohexyl-3-(3-ethylpentan-3-yl)urea
SMILESCCC(CC)(CC)NC(=O)NC1CCCCC1
InChIInChI=1S/C14H28N2O/c1-4-14(5-2,6-3)16-13(17)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(H2,15,16,17)
InChIKeyUIVKEJSHDQYRIE-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[3-(hydroxymethyl)pentan-3-yl]urea
CID 79493195
1-cyclododecyl-3-(trifluoromethyl)urea
CID 108865906
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151
2-(cyclooctylcarbamoylamino)-2-methylpentanoic acid
CID 61181430
1-cyclohexyl-3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)urea
CID 17387309
1-(1-amino-2-methylbutan-2-yl)-3-cyclobutylurea
CID 116658153
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-cyclopentyl-3-(3-hydroxy-2,3-dimethylbutan-2-yl)urea
CID 104594557
1-cyclopentyl-3-ethylurea;ethane
CID 145358709
N-[3-(aminomethyl)pentan-3-yl]-4-(cyclohexylcarbamoylamino)butanamide
CID 119569667

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea (CID 115660907) is 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea is CCC(CC)(CC)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea?
The InChIKey is UIVKEJSHDQYRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-14(5-2,6-3)16-13(17)15-12-10-8-7-9-11-12/h12H,4-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea?
1-cyclohexyl-3-(3-ethylpentan-3-yl)urea has a molecular weight of 240.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-ethylpentan-3-yl)urea is sourced from PubChem (CID 115660907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).