1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea

C9H20N2O4 — CID 91806148

IUPAC1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESCCOCCNC(=O)NCCOCCO
InChIInChI=1S/C9H20N2O4/c1-2-14-6-3-10-9(13)11-4-7-15-8-5-12/h12H,2-8H2,1H3,(H2,10,11,13)
InChIKeyNFOFJFWRJHSDHK-UHFFFAOYSA-N
MW220.27 g/mol
LogP-0.67
Rot. Bonds9

About 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea

1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea (PubChem CID 91806148) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
PubChem CID91806148
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
SMILESCCOCCNC(=O)NCCOCCO
InChIInChI=1S/C9H20N2O4/c1-2-14-6-3-10-9(13)11-4-7-15-8-5-12/h12H,2-8H2,1H3,(H2,10,11,13)
InChIKeyNFOFJFWRJHSDHK-UHFFFAOYSA-N
XLogP-0.67
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
The IUPAC name of 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea (CID 91806148) is 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea is CCOCCNC(=O)NCCOCCO.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
The InChIKey is NFOFJFWRJHSDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-2-14-6-3-10-9(13)11-4-7-15-8-5-12/h12H,2-8H2,1H3,(H2,10,11,13).
What are the key properties of 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea?
1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea has a molecular weight of 220.27 g/mol, XLogP of -0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[2-(2-hydroxyethoxy)ethyl]urea is sourced from PubChem (CID 91806148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).