3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

C13H26N2O2 — CID 79386772

IUPAC3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-4-15(10-13(2,3)17)12(16)14-11-8-6-5-7-9-11/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyHNAPLCDTPVUIBK-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.12
Rot. Bonds4

About 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea

3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 79386772) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID79386772
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCN(CC(C)(C)O)C(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-4-15(10-13(2,3)17)12(16)14-11-8-6-5-7-9-11/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyHNAPLCDTPVUIBK-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid
CID 79377748
2-[cyclohexylcarbamoyl(ethyl)amino]acetamide
CID 103101665
3-cyclohexyl-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 115573886
4-(cyclopentanecarbonylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 111596363
N-cyclohexyl-3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 78964192
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
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
2-cyclohexyl-N-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]acetamide
CID 111596150
3-(azepan-3-yl)-1,1-diethylurea
CID 79160886

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea (CID 79386772) is 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is CCN(CC(C)(C)O)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is HNAPLCDTPVUIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-15(10-13(2,3)17)12(16)14-11-8-6-5-7-9-11/h11,17H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea?
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 242.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 79386772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).