N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C13H23F3N2O2 — CID 82786161

IUPACN-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC1(CC)CC(NC(=O)CNCC(F)(F)F)CCO1
InChIInChI=1S/C13H23F3N2O2/c1-3-12(4-2)7-10(5-6-20-12)18-11(19)8-17-9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyCREOZGADROGQIT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.99
Rot. Bonds6

About N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 82786161) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID82786161
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC1(CC)CC(NC(=O)CNCC(F)(F)F)CCO1
InChIInChI=1S/C13H23F3N2O2/c1-3-12(4-2)7-10(5-6-20-12)18-11(19)8-17-9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,18,19)
InChIKeyCREOZGADROGQIT-UHFFFAOYSA-N
XLogP1.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 82786161) is N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is CCC1(CC)CC(NC(=O)CNCC(F)(F)F)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is CREOZGADROGQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-12(4-2)7-10(5-6-20-12)18-11(19)8-17-9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 82786161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).