1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one

C13H27N3O3 — CID 22381461

IUPAC1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one
SMILESCCCCNCCOCCOCCN1CCNC1=O
InChIInChI=1S/C13H27N3O3/c1-2-3-4-14-6-9-18-11-12-19-10-8-16-7-5-15-13(16)17/h14H,2-12H2,1H3,(H,15,17)
InChIKeyPRWDHTGKUOZVJB-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.43
Rot. Bonds12

About 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one

1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one (PubChem CID 22381461) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one
PubChem CID22381461
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one
SMILESCCCCNCCOCCOCCN1CCNC1=O
InChIInChI=1S/C13H27N3O3/c1-2-3-4-14-6-9-18-11-12-19-10-8-16-7-5-15-13(16)17/h14H,2-12H2,1H3,(H,15,17)
InChIKeyPRWDHTGKUOZVJB-UHFFFAOYSA-N
XLogP0.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
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-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one (CID 22381461) is 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one is CCCCNCCOCCOCCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one?
The InChIKey is PRWDHTGKUOZVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-2-3-4-14-6-9-18-11-12-19-10-8-16-7-5-15-13(16)17/h14H,2-12H2,1H3,(H,15,17).
What are the key properties of 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one?
1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 0.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]imidazolidin-2-one is sourced from PubChem (CID 22381461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).