1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea

C14H28N2O2 — CID 111454492

IUPAC1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NCCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-2-13(9-11-17)16-14(18)15-10-8-12-6-4-3-5-7-12/h12-13,17H,2-11H2,1H3,(H2,15,16,18)
InChIKeyAMHFBDHXRHWXAI-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.42
Rot. Bonds7

About 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea

1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111454492) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea
PubChem CID111454492
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NCCC1CCCCC1
InChIInChI=1S/C14H28N2O2/c1-2-13(9-11-17)16-14(18)15-10-8-12-6-4-3-5-7-12/h12-13,17H,2-11H2,1H3,(H2,15,16,18)
InChIKeyAMHFBDHXRHWXAI-UHFFFAOYSA-N
XLogP2.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(2-cyclohexylethylcarbamoylamino)-3-methylpentanoic acid
CID 61206115
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455670
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61205743
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 104909955
3-(cycloheptylmethylamino)pentan-1-ol
CID 115685732
N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 109478793
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
(2S)-4-hydroxy-2-[2-(4-methylcyclohexyl)ethylcarbamoylamino]butanoic acid
CID 107827982

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea (CID 111454492) is 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)NCCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is AMHFBDHXRHWXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-13(9-11-17)16-14(18)15-10-8-12-6-4-3-5-7-12/h12-13,17H,2-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea?
1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 256.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111454492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).