2-(2-ethoxyethoxy)ethylurea

C7H16N2O3 — CID 22354062

IUPAC2-(2-ethoxyethoxy)ethylurea
SMILESCCOCCOCCNC(N)=O
InChIInChI=1S/C7H16N2O3/c1-2-11-5-6-12-4-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyJQZMKEGSSCOMGA-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.29
Rot. Bonds7

About 2-(2-ethoxyethoxy)ethylurea

2-(2-ethoxyethoxy)ethylurea (PubChem CID 22354062) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethylurea.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethylurea
PubChem CID22354062
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name2-(2-ethoxyethoxy)ethylurea
SMILESCCOCCOCCNC(N)=O
InChIInChI=1S/C7H16N2O3/c1-2-11-5-6-12-4-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyJQZMKEGSSCOMGA-UHFFFAOYSA-N
XLogP-0.29
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
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 2-(2-ethoxyethoxy)ethylurea?
The IUPAC name of 2-(2-ethoxyethoxy)ethylurea (CID 22354062) is 2-(2-ethoxyethoxy)ethylurea.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethylurea?
The canonical SMILES for 2-(2-ethoxyethoxy)ethylurea is CCOCCOCCNC(N)=O.
What is the InChIKey of 2-(2-ethoxyethoxy)ethylurea?
The InChIKey is JQZMKEGSSCOMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-2-11-5-6-12-4-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10).
What are the key properties of 2-(2-ethoxyethoxy)ethylurea?
2-(2-ethoxyethoxy)ethylurea has a molecular weight of 176.22 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethylurea is sourced from PubChem (CID 22354062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).