2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

C10H17NO3 — CID 80601441

IUPAC2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCCOCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H17NO3/c1-2-13-6-10(12)11-8-5-7-3-4-9(8)14-7/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyIHOJGGKQLZYYJW-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds4

About 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide

2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 80601441) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID80601441
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCCOCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C10H17NO3/c1-2-13-6-10(12)11-8-5-7-3-4-9(8)14-7/h7-9H,2-6H2,1H3,(H,11,12)
InChIKeyIHOJGGKQLZYYJW-UHFFFAOYSA-N
XLogP0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 80601441) is 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is CCOCC(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is IHOJGGKQLZYYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-13-6-10(12)11-8-5-7-3-4-9(8)14-7/h7-9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 199.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 80601441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).