1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea

C11H20N2O2 — CID 108912409

IUPAC1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC=C1CCCCC1
InChIInChI=1S/C11H20N2O2/c1-15-8-7-12-11(14)13-9-10-5-3-2-4-6-10/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyFPRSXTBEMALMAH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.78
Rot. Bonds4

About 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea

1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea (PubChem CID 108912409) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea
PubChem CID108912409
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NC=C1CCCCC1
InChIInChI=1S/C11H20N2O2/c1-15-8-7-12-11(14)13-9-10-5-3-2-4-6-10/h9H,2-8H2,1H3,(H2,12,13,14)
InChIKeyFPRSXTBEMALMAH-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea (CID 108912409) is 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea is COCCNC(=O)NC=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea?
The InChIKey is FPRSXTBEMALMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-8-7-12-11(14)13-9-10-5-3-2-4-6-10/h9H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea?
1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea has a molecular weight of 212.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 108912409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).