1,3-bis(1-ethoxyethyl)urea

C9H20N2O3 — CID 20520727

IUPAC1,3-bis(1-ethoxyethyl)urea
SMILESCCOC(C)NC(=O)NC(C)OCC
InChIInChI=1S/C9H20N2O3/c1-5-13-7(3)10-9(12)11-8(4)14-6-2/h7-8H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyVQEFATUERSZPFC-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.05
Rot. Bonds6

About 1,3-bis(1-ethoxyethyl)urea

1,3-bis(1-ethoxyethyl)urea (PubChem CID 20520727) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,3-bis(1-ethoxyethyl)urea.

Molecular Properties

Compound Name1,3-bis(1-ethoxyethyl)urea
PubChem CID20520727
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name1,3-bis(1-ethoxyethyl)urea
SMILESCCOC(C)NC(=O)NC(C)OCC
InChIInChI=1S/C9H20N2O3/c1-5-13-7(3)10-9(12)11-8(4)14-6-2/h7-8H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyVQEFATUERSZPFC-UHFFFAOYSA-N
XLogP1.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1-ethoxyethyl)urea?
The IUPAC name of 1,3-bis(1-ethoxyethyl)urea (CID 20520727) is 1,3-bis(1-ethoxyethyl)urea.
What is the SMILES notation for 1,3-bis(1-ethoxyethyl)urea?
The canonical SMILES for 1,3-bis(1-ethoxyethyl)urea is CCOC(C)NC(=O)NC(C)OCC.
What is the InChIKey of 1,3-bis(1-ethoxyethyl)urea?
The InChIKey is VQEFATUERSZPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-5-13-7(3)10-9(12)11-8(4)14-6-2/h7-8H,5-6H2,1-4H3,(H2,10,11,12).
What are the key properties of 1,3-bis(1-ethoxyethyl)urea?
1,3-bis(1-ethoxyethyl)urea has a molecular weight of 204.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1-ethoxyethyl)urea is sourced from PubChem (CID 20520727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).