2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide

C8H16BrNO4 — CID 154729285

IUPAC2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCOCCBr
InChIInChI=1S/C8H16BrNO4/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1-7H2,(H2,10,11)
InChIKeyZOUVFTHMNIHAJB-UHFFFAOYSA-N
MW270.12 g/mol
LogP-0.08
Rot. Bonds10

About 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide

2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide (PubChem CID 154729285) has the molecular formula C8H16BrNO4 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
PubChem CID154729285
Molecular FormulaC8H16BrNO4
Molecular Weight270.12 g/mol
Exact Mass269.03
IUPAC Name2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide
SMILESNC(=O)COCCOCCOCCBr
InChIInChI=1S/C8H16BrNO4/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1-7H2,(H2,10,11)
InChIKeyZOUVFTHMNIHAJB-UHFFFAOYSA-N
XLogP-0.08
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide?
The IUPAC name of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide (CID 154729285) is 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide?
The canonical SMILES for 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide is NC(=O)COCCOCCOCCBr.
What is the InChIKey of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide?
The InChIKey is ZOUVFTHMNIHAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO4/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1-7H2,(H2,10,11).
What are the key properties of 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide?
2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide has a molecular weight of 270.12 g/mol, XLogP of -0.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetamide is sourced from PubChem (CID 154729285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).