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

C9H15NO3 — CID 80601714

IUPAC2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCOCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C9H15NO3/c1-12-5-9(11)10-7-4-6-2-3-8(7)13-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyQYLFWLCBXQGHMQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.07
Rot. Bonds3

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

2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 80601714) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID80601714
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCOCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C9H15NO3/c1-12-5-9(11)10-7-4-6-2-3-8(7)13-6/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyQYLFWLCBXQGHMQ-UHFFFAOYSA-N
XLogP0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 80601714) is 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is COCC(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is QYLFWLCBXQGHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-5-9(11)10-7-4-6-2-3-8(7)13-6/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 185.22 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 80601714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).