3-(2-methoxyethoxy)propylurea

C7H16N2O3 — CID 103606259

IUPAC3-(2-methoxyethoxy)propylurea
SMILESCOCCOCCCNC(N)=O
InChIInChI=1S/C7H16N2O3/c1-11-5-6-12-4-2-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyBWGULIXIGVTMTQ-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.29
Rot. Bonds7

About 3-(2-methoxyethoxy)propylurea

3-(2-methoxyethoxy)propylurea (PubChem CID 103606259) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propylurea.

Molecular Properties

Compound Name3-(2-methoxyethoxy)propylurea
PubChem CID103606259
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name3-(2-methoxyethoxy)propylurea
SMILESCOCCOCCCNC(N)=O
InChIInChI=1S/C7H16N2O3/c1-11-5-6-12-4-2-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)
InChIKeyBWGULIXIGVTMTQ-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 3-(2-methoxyethoxy)propylurea?
The IUPAC name of 3-(2-methoxyethoxy)propylurea (CID 103606259) is 3-(2-methoxyethoxy)propylurea.
What is the SMILES notation for 3-(2-methoxyethoxy)propylurea?
The canonical SMILES for 3-(2-methoxyethoxy)propylurea is COCCOCCCNC(N)=O.
What is the InChIKey of 3-(2-methoxyethoxy)propylurea?
The InChIKey is BWGULIXIGVTMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-11-5-6-12-4-2-3-9-7(8)10/h2-6H2,1H3,(H3,8,9,10).
What are the key properties of 3-(2-methoxyethoxy)propylurea?
3-(2-methoxyethoxy)propylurea 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 3-(2-methoxyethoxy)propylurea is sourced from PubChem (CID 103606259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).