1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea

C11H22N2O3 — CID 4136947

IUPAC1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(NCCOCCO)NC1CCCCC1
InChIInChI=1S/C11H22N2O3/c14-7-9-16-8-6-12-11(15)13-10-4-2-1-3-5-10/h10,14H,1-9H2,(H2,12,13,15)
InChIKeyMRFMLXVESMOQQG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.63
Rot. Bonds6

About 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea

1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 4136947) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID4136947
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESO=C(NCCOCCO)NC1CCCCC1
InChIInChI=1S/C11H22N2O3/c14-7-9-16-8-6-12-11(15)13-10-4-2-1-3-5-10/h10,14H,1-9H2,(H2,12,13,15)
InChIKeyMRFMLXVESMOQQG-UHFFFAOYSA-N
XLogP0.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea (CID 4136947) is 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea is O=C(NCCOCCO)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is MRFMLXVESMOQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c14-7-9-16-8-6-12-11(15)13-10-4-2-1-3-5-10/h10,14H,1-9H2,(H2,12,13,15).
What are the key properties of 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea?
1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 230.31 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 4136947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).