3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea

C13H24N2O — CID 115573886

IUPAC3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-15(10-11(2)3)13(16)14-12-8-6-5-7-9-12/h12H,2,4-10H2,1,3H3,(H,14,16)
InChIKeyMPOMXUYUQWWQRF-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.93
Rot. Bonds4

About 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea

3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea (PubChem CID 115573886) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
PubChem CID115573886
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(CC)C(=O)NC1CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-15(10-11(2)3)13(16)14-12-8-6-5-7-9-12/h12H,2,4-10H2,1,3H3,(H,14,16)
InChIKeyMPOMXUYUQWWQRF-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea
CID 75377549
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
CID 104892229
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3-cyclopentyl-1-[3-(dimethylamino)propyl]-1-ethylurea
CID 102974783
3-cyclopentyl-1-(2-ethoxyethyl)-1-ethylurea
CID 115618266
1-(2-aminoethyl)-3-cyclobutyl-1-ethylurea
CID 116658119
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
2-cyclopentyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 86978195
3-(azepan-3-yl)-1,1-diethylurea
CID 79160886
3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1,1-diethylurea
CID 108563875

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea (CID 115573886) is 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(CC)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is MPOMXUYUQWWQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-15(10-11(2)3)13(16)14-12-8-6-5-7-9-12/h12H,2,4-10H2,1,3H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea?
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 224.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 115573886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).