1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea

C15H30N2O2 — CID 111507119

IUPAC1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCC(NC(=O)NCC(C)(C)CCO)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(13-7-5-4-6-8-13)17-14(19)16-11-15(2,3)9-10-18/h12-13,18H,4-11H2,1-3H3,(H2,16,17,19)
InChIKeyIMNGUBBJLRDOHR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.66
Rot. Bonds6

About 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea

1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea (PubChem CID 111507119) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
PubChem CID111507119
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
SMILESCC(NC(=O)NCC(C)(C)CCO)C1CCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(13-7-5-4-6-8-13)17-14(19)16-11-15(2,3)9-10-18/h12-13,18H,4-11H2,1-3H3,(H2,16,17,19)
InChIKeyIMNGUBBJLRDOHR-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
1-cyclopropyl-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 103708347
1-(4-hydroxy-2,2-dimethylbutyl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 111504674
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 109499928
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
3-(1-cyclohexylethylamino)-3-methylpentan-1-ol
CID 115921126
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
CID 109499933
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The IUPAC name of 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea (CID 111507119) is 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea.
What is the SMILES notation for 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The canonical SMILES for 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea is CC(NC(=O)NCC(C)(C)CCO)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea?
The InChIKey is IMNGUBBJLRDOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(13-7-5-4-6-8-13)17-14(19)16-11-15(2,3)9-10-18/h12-13,18H,4-11H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea?
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea has a molecular weight of 270.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea is sourced from PubChem (CID 111507119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).