2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide

C13H24N2O2 — CID 80719352

IUPAC2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC1CC2CCC1O2
InChIInChI=1S/C13H24N2O2/c1-3-9(4-2)15-13(16)8-14-11-7-10-5-6-12(11)17-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUQQYFGJDBGJOIM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds6

About 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide

2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide (PubChem CID 80719352) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide
PubChem CID80719352
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CNC1CC2CCC1O2
InChIInChI=1S/C13H24N2O2/c1-3-9(4-2)15-13(16)8-14-11-7-10-5-6-12(11)17-10/h9-12,14H,3-8H2,1-2H3,(H,15,16)
InChIKeyUQQYFGJDBGJOIM-UHFFFAOYSA-N
XLogP1.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide (CID 80719352) is 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CNC1CC2CCC1O2.
What is the InChIKey of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide?
The InChIKey is UQQYFGJDBGJOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-9(4-2)15-13(16)8-14-11-7-10-5-6-12(11)17-10/h9-12,14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide?
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide is sourced from PubChem (CID 80719352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).