1-(2-butoxyethyl)-3-cyclohexylurea

C13H26N2O2 — CID 115595366

IUPAC1-(2-butoxyethyl)-3-cyclohexylurea
SMILESCCCCOCCNC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-3-10-17-11-9-14-13(16)15-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyBFDJZHKLJOSXAG-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.43
Rot. Bonds7

About 1-(2-butoxyethyl)-3-cyclohexylurea

1-(2-butoxyethyl)-3-cyclohexylurea (PubChem CID 115595366) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-butoxyethyl)-3-cyclohexylurea
PubChem CID115595366
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(2-butoxyethyl)-3-cyclohexylurea
SMILESCCCCOCCNC(=O)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-2-3-10-17-11-9-14-13(16)15-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H2,14,15,16)
InChIKeyBFDJZHKLJOSXAG-UHFFFAOYSA-N
XLogP2.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.43
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-(2-butoxyethyl)-3-cyclohexylurea?
The IUPAC name of 1-(2-butoxyethyl)-3-cyclohexylurea (CID 115595366) is 1-(2-butoxyethyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-butoxyethyl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-butoxyethyl)-3-cyclohexylurea is CCCCOCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-(2-butoxyethyl)-3-cyclohexylurea?
The InChIKey is BFDJZHKLJOSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-3-10-17-11-9-14-13(16)15-12-7-5-4-6-8-12/h12H,2-11H2,1H3,(H2,14,15,16).
What are the key properties of 1-(2-butoxyethyl)-3-cyclohexylurea?
1-(2-butoxyethyl)-3-cyclohexylurea has a molecular weight of 242.36 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-3-cyclohexylurea is sourced from PubChem (CID 115595366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).