2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide

C13H23F3N2O2 — CID 83028310

IUPAC2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC1(CC)CC(NC(=O)C(C)(N)C(F)(F)F)CCO1
InChIInChI=1S/C13H23F3N2O2/c1-4-12(5-2)8-9(6-7-20-12)18-10(19)11(3,17)13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyVMXVDHYTKLMVBD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 83028310) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID83028310
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCCC1(CC)CC(NC(=O)C(C)(N)C(F)(F)F)CCO1
InChIInChI=1S/C13H23F3N2O2/c1-4-12(5-2)8-9(6-7-20-12)18-10(19)11(3,17)13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyVMXVDHYTKLMVBD-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-2-methyl-4-(2,2,2-trifluoroethylamino)oxane-4-carboxamide
CID 64110324
2,2-Dimethyl-4-(2,2,2-trifluoroethylamino)oxane-4-carboxamide
CID 64110535
N-(2,2-diethyloxan-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 82786161
N-(2,2-diethyloxan-4-yl)-2,2,2-trifluoroacetamide
CID 82786538
2-amino-N-(2,2-dimethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide
CID 83028454
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 83032815
2-[(2,2-diethyloxan-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 83033430
N-(2,2-diethyloxan-4-yl)-2,2-difluoroacetamide
CID 103515965
N-(2,2-diethyloxan-4-yl)-2,2,3,3-tetrafluoropropanamide
CID 103868600
2-[2-(oxan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103983653
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyloxan-4-yl)propanamide
CID 105751967
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 105999263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 83028310) is 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide is CCC1(CC)CC(NC(=O)C(C)(N)C(F)(F)F)CCO1.
What is the InChIKey of 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is VMXVDHYTKLMVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-4-12(5-2)8-9(6-7-20-12)18-10(19)11(3,17)13(14,15)16/h9H,4-8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 296.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-diethyloxan-4-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 83028310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).