3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea

C13H24N2O2 — CID 108912176

IUPAC3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-15(10-11-16)13(17)14-9-8-12-6-4-3-5-7-12/h8-9,12,16H,2-7,10-11H2,1H3,(H,14,17)/b9-8+
InChIKeyKLJBHNPAOIQVSO-CMDGGOBGSA-N
MW240.35 g/mol
LogP2.10
Rot. Bonds5

About 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea

3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 108912176) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID108912176
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-2-15(10-11-16)13(17)14-9-8-12-6-4-3-5-7-12/h8-9,12,16H,2-7,10-11H2,1H3,(H,14,17)/b9-8+
InChIKeyKLJBHNPAOIQVSO-CMDGGOBGSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-cyclopropylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108915851
3-[(E)-2-cyclopropylethenyl]-1,1-diethylurea
CID 108915860
1-[(E)-2-cyclopentylethenyl]-3-[3-(dimethylamino)propyl]urea
CID 108911800
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
1-cyclopentyl-3,3-diethyl-1-(2-hydroxyethyl)urea
CID 79161969
1-(2-cyclohexylethyl)-3-ethyl-1-(2-hydroxyethyl)urea
CID 150984877
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435372
3-(2,4-dimethylcyclohexyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 111123429
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 108912176) is 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)N/C=C/C1CCCCC1.
What is the InChIKey of 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is KLJBHNPAOIQVSO-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-15(10-11-16)13(17)14-9-8-12-6-4-3-5-7-12/h8-9,12,16H,2-7,10-11H2,1H3,(H,14,17)/b9-8+.
What are the key properties of 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 240.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclohexylethenyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108912176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).