2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea

C11H25N3O3 — CID 22381176

IUPAC2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea
SMILESCCCCNCCOCCOCCNC(N)=O
InChIInChI=1S/C11H25N3O3/c1-2-3-4-13-5-7-16-9-10-17-8-6-14-11(12)15/h13H,2-10H2,1H3,(H3,12,14,15)
InChIKeyOKYJWKWUIPCKHH-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.08
Rot. Bonds12

About 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea

2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea (PubChem CID 22381176) has the molecular formula C11H25N3O3 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea.

Molecular Properties

Compound Name2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea
PubChem CID22381176
Molecular FormulaC11H25N3O3
Molecular Weight247.34 g/mol
Exact Mass247.19
IUPAC Name2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea
SMILESCCCCNCCOCCOCCNC(N)=O
InChIInChI=1S/C11H25N3O3/c1-2-3-4-13-5-7-16-9-10-17-8-6-14-11(12)15/h13H,2-10H2,1H3,(H3,12,14,15)
InChIKeyOKYJWKWUIPCKHH-UHFFFAOYSA-N
XLogP0.08
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.08
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 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea?
The IUPAC name of 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea (CID 22381176) is 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea.
What is the SMILES notation for 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea?
The canonical SMILES for 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea is CCCCNCCOCCOCCNC(N)=O.
What is the InChIKey of 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea?
The InChIKey is OKYJWKWUIPCKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3/c1-2-3-4-13-5-7-16-9-10-17-8-6-14-11(12)15/h13H,2-10H2,1H3,(H3,12,14,15).
What are the key properties of 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea?
2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea has a molecular weight of 247.34 g/mol, XLogP of 0.08, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(butylamino)ethoxy]ethoxy]ethylurea is sourced from PubChem (CID 22381176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).