2-ethoxyethylurea

C5H12N2O2 — CID 22179647

IUPAC2-ethoxyethylurea
SMILESCCOCCNC(N)=O
InChIInChI=1S/C5H12N2O2/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyYCYFTJRVSBLIFK-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.31
Rot. Bonds4

About 2-ethoxyethylurea

2-ethoxyethylurea (PubChem CID 22179647) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-ethoxyethylurea.

Molecular Properties

Compound Name2-ethoxyethylurea
PubChem CID22179647
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name2-ethoxyethylurea
SMILESCCOCCNC(N)=O
InChIInChI=1S/C5H12N2O2/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChIKeyYCYFTJRVSBLIFK-UHFFFAOYSA-N
XLogP-0.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.31
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 2-ethoxyethylurea?
The IUPAC name of 2-ethoxyethylurea (CID 22179647) is 2-ethoxyethylurea.
What is the SMILES notation for 2-ethoxyethylurea?
The canonical SMILES for 2-ethoxyethylurea is CCOCCNC(N)=O.
What is the InChIKey of 2-ethoxyethylurea?
The InChIKey is YCYFTJRVSBLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-2-9-4-3-7-5(6)8/h2-4H2,1H3,(H3,6,7,8).
What are the key properties of 2-ethoxyethylurea?
2-ethoxyethylurea has a molecular weight of 132.16 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethylurea is sourced from PubChem (CID 22179647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).