2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide

C12H22N2O2 — CID 62900474

IUPAC2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide
SMILESCCC(C(N)=O)N1CCOC2CCCCC21
InChIInChI=1S/C12H22N2O2/c1-2-9(12(13)15)14-7-8-16-11-6-4-3-5-10(11)14/h9-11H,2-8H2,1H3,(H2,13,15)
InChIKeyAKFGQFQAZIZQOH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.89
Rot. Bonds3

About 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide (PubChem CID 62900474) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide.

Molecular Properties

Compound Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide
PubChem CID62900474
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide
SMILESCCC(C(N)=O)N1CCOC2CCCCC21
InChIInChI=1S/C12H22N2O2/c1-2-9(12(13)15)14-7-8-16-11-6-4-3-5-10(11)14/h9-11H,2-8H2,1H3,(H2,13,15)
InChIKeyAKFGQFQAZIZQOH-UHFFFAOYSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide?
The IUPAC name of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide (CID 62900474) is 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide.
What is the SMILES notation for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide?
The canonical SMILES for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide is CCC(C(N)=O)N1CCOC2CCCCC21.
What is the InChIKey of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide?
The InChIKey is AKFGQFQAZIZQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-9(12(13)15)14-7-8-16-11-6-4-3-5-10(11)14/h9-11H,2-8H2,1H3,(H2,13,15).
What are the key properties of 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide?
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide has a molecular weight of 226.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide is sourced from PubChem (CID 62900474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).