2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide

C12H24N2O4 — CID 89470476

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide
SMILESCOCCOCCOCC(=O)NCC1CN(C)C1
InChIInChI=1S/C12H24N2O4/c1-14-8-11(9-14)7-13-12(15)10-18-6-5-17-4-3-16-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyANGUVWPQJCAHNH-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.66
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide

2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide (PubChem CID 89470476) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide
PubChem CID89470476
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide
SMILESCOCCOCCOCC(=O)NCC1CN(C)C1
InChIInChI=1S/C12H24N2O4/c1-14-8-11(9-14)7-13-12(15)10-18-6-5-17-4-3-16-2/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyANGUVWPQJCAHNH-UHFFFAOYSA-N
XLogP-0.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide (CID 89470476) is 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide is COCCOCCOCC(=O)NCC1CN(C)C1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide?
The InChIKey is ANGUVWPQJCAHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-14-8-11(9-14)7-13-12(15)10-18-6-5-17-4-3-16-2/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide?
2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide has a molecular weight of 260.33 g/mol, XLogP of -0.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-[(1-methylazetidin-3-yl)methyl]acetamide is sourced from PubChem (CID 89470476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).