3-ethoxypropylurea

C6H14N2O2 — CID 2115229

IUPAC3-ethoxypropylurea
SMILESCCOCCCNC(N)=O
InChIInChI=1S/C6H14N2O2/c1-2-10-5-3-4-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
InChIKeyRVCWCFQLRDEUQT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.08
Rot. Bonds5

About 3-ethoxypropylurea

3-ethoxypropylurea (PubChem CID 2115229) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-ethoxypropylurea.

Molecular Properties

Compound Name3-ethoxypropylurea
PubChem CID2115229
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name3-ethoxypropylurea
SMILESCCOCCCNC(N)=O
InChIInChI=1S/C6H14N2O2/c1-2-10-5-3-4-8-6(7)9/h2-5H2,1H3,(H3,7,8,9)
InChIKeyRVCWCFQLRDEUQT-UHFFFAOYSA-N
XLogP0.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxypropylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropylurea?
The IUPAC name of 3-ethoxypropylurea (CID 2115229) is 3-ethoxypropylurea.
What is the SMILES notation for 3-ethoxypropylurea?
The canonical SMILES for 3-ethoxypropylurea is CCOCCCNC(N)=O.
What is the InChIKey of 3-ethoxypropylurea?
The InChIKey is RVCWCFQLRDEUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-2-10-5-3-4-8-6(7)9/h2-5H2,1H3,(H3,7,8,9).
What are the key properties of 3-ethoxypropylurea?
3-ethoxypropylurea has a molecular weight of 146.19 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropylurea is sourced from PubChem (CID 2115229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).