3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea

C12H24N2O2 — CID 43574296

IUPAC3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea
SMILESCC(C)N(CCO)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14(8-9-15)12(16)13-11-6-4-3-5-7-11/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyHXYJSJZCAHEADE-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.73
Rot. Bonds4

About 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea

3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea (PubChem CID 43574296) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea
PubChem CID43574296
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea
SMILESCC(C)N(CCO)C(=O)NC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14(8-9-15)12(16)13-11-6-4-3-5-7-11/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyHXYJSJZCAHEADE-UHFFFAOYSA-N
XLogP1.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea?
The IUPAC name of 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea (CID 43574296) is 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea.
What is the SMILES notation for 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea?
The canonical SMILES for 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea is CC(C)N(CCO)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea?
The InChIKey is HXYJSJZCAHEADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14(8-9-15)12(16)13-11-6-4-3-5-7-11/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea?
3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea has a molecular weight of 228.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-hydroxyethyl)-1-propan-2-ylurea is sourced from PubChem (CID 43574296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).