2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide

C11H21NO4 — CID 103839472

IUPAC2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide
SMILESCOCCOCC(=O)NC1(C)CCOCC1
InChIInChI=1S/C11H21NO4/c1-11(3-5-15-6-4-11)12-10(13)9-16-8-7-14-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyYOKASVJWVNSPLL-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.33
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide

2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide (PubChem CID 103839472) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide
PubChem CID103839472
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide
SMILESCOCCOCC(=O)NC1(C)CCOCC1
InChIInChI=1S/C11H21NO4/c1-11(3-5-15-6-4-11)12-10(13)9-16-8-7-14-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyYOKASVJWVNSPLL-UHFFFAOYSA-N
XLogP0.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
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-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide (CID 103839472) is 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide is COCCOCC(=O)NC1(C)CCOCC1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide?
The InChIKey is YOKASVJWVNSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(3-5-15-6-4-11)12-10(13)9-16-8-7-14-2/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide?
2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide has a molecular weight of 231.29 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(4-methyloxan-4-yl)acetamide is sourced from PubChem (CID 103839472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).