2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

C15H25F3N2O2 — CID 95371977

IUPAC2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCO[C@H]2CCCC[C@@H]21
InChIInChI=1S/C15H25F3N2O2/c1-11(2)20(10-15(16,17)18)14(21)9-19-7-8-22-13-6-4-3-5-12(13)19/h11-13H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyFVVQACVWZMAHRA-STQMWFEESA-N
MW322.37 g/mol
LogP2.43
Rot. Bonds4

About 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide

2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95371977) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95371977
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)N(CC(F)(F)F)C(=O)CN1CCO[C@H]2CCCC[C@@H]21
InChIInChI=1S/C15H25F3N2O2/c1-11(2)20(10-15(16,17)18)14(21)9-19-7-8-22-13-6-4-3-5-12(13)19/h11-13H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyFVVQACVWZMAHRA-STQMWFEESA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 95371977) is 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is CC(C)N(CC(F)(F)F)C(=O)CN1CCO[C@H]2CCCC[C@@H]21.
What is the InChIKey of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FVVQACVWZMAHRA-STQMWFEESA-N. The full InChI is InChI=1S/C15H25F3N2O2/c1-11(2)20(10-15(16,17)18)14(21)9-19-7-8-22-13-6-4-3-5-12(13)19/h11-13H,3-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95371977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).