1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea

C7H16N2O3 — CID 91036718

IUPAC1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea
SMILESCCOCCNC(=O)NCCO
InChIInChI=1S/C7H16N2O3/c1-2-12-6-4-9-7(11)8-3-5-10/h10H,2-6H2,1H3,(H2,8,9,11)
InChIKeyXSFYXOYOCCKZFJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.69
Rot. Bonds6

About 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea

1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea (PubChem CID 91036718) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea
PubChem CID91036718
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea
SMILESCCOCCNC(=O)NCCO
InChIInChI=1S/C7H16N2O3/c1-2-12-6-4-9-7(11)8-3-5-10/h10H,2-6H2,1H3,(H2,8,9,11)
InChIKeyXSFYXOYOCCKZFJ-UHFFFAOYSA-N
XLogP-0.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
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 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea (CID 91036718) is 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea is CCOCCNC(=O)NCCO.
What is the InChIKey of 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea?
The InChIKey is XSFYXOYOCCKZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-2-12-6-4-9-7(11)8-3-5-10/h10H,2-6H2,1H3,(H2,8,9,11).
What are the key properties of 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea?
1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea has a molecular weight of 176.22 g/mol, XLogP of -0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 91036718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).