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

C12H22N2O2 — CID 80601718

IUPAC2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCC(C)(C)NCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)13-7-11(15)14-9-6-8-4-5-10(9)16-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyAPKGPMCWWPZUAY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds3

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

2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 80601718) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID80601718
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCC(C)(C)NCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C12H22N2O2/c1-12(2,3)13-7-11(15)14-9-6-8-4-5-10(9)16-8/h8-10,13H,4-7H2,1-3H3,(H,14,15)
InChIKeyAPKGPMCWWPZUAY-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide (CID 80601718) is 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is CC(C)(C)NCC(=O)NC1CC2CCC1O2.
What is the InChIKey of 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is APKGPMCWWPZUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)13-7-11(15)14-9-6-8-4-5-10(9)16-8/h8-10,13H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide?
2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 80601718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).