1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea

C15H28N2O2 — CID 111424305

IUPAC1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C15H28N2O2/c1-4-9-17(10-11-18)15(19)16-14-8-6-5-7-13(14)12(2)3/h4,12-14,18H,1,5-11H2,2-3H3,(H,16,19)
InChIKeyCSPJCUWVCXCTNP-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.39
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea (PubChem CID 111424305) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
PubChem CID111424305
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC1CCCCC1C(C)C
InChIInChI=1S/C15H28N2O2/c1-4-9-17(10-11-18)15(19)16-14-8-6-5-7-13(14)12(2)3/h4,12-14,18H,1,5-11H2,2-3H3,(H,16,19)
InChIKeyCSPJCUWVCXCTNP-UHFFFAOYSA-N
XLogP2.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
3-[(1R,2S)-2-cyclohexylcyclopropyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 97019741
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
1-(2-hydroxyethyl)-3-[(2-propan-2-yloxan-3-yl)methyl]-1-prop-2-enylurea
CID 111796728
3-cyclopentyl-1,1-bis(prop-2-enyl)urea
CID 108902716
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-propan-2-ylcyclohexyl)urea
CID 111455212
3-(3-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111841052
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
3-(3-ethylsulfanylcyclopentyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509144
N-methyl-2-propan-2-ylcyclohexan-1-amine;propan-1-ol
CID 71071729
(2R)-2-[[2-hydroxyethyl(prop-2-enyl)carbamoyl]amino]-3-methylbutanoic acid
CID 104869582
3-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424120

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea (CID 111424305) is 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC1CCCCC1C(C)C.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea?
The InChIKey is CSPJCUWVCXCTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-9-17(10-11-18)15(19)16-14-8-6-5-7-13(14)12(2)3/h4,12-14,18H,1,5-11H2,2-3H3,(H,16,19).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea has a molecular weight of 268.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-propan-2-ylcyclohexyl)-1-prop-2-enylurea is sourced from PubChem (CID 111424305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).