N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide

C13H23F3N2O2 — CID 84594971

IUPACN,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9(2)11(17-10-4-6-20-7-5-10)12(19)18(3)8-13(14,15)16/h9-11,17H,4-8H2,1-3H3
InChIKeyMDVZPBXLSPJHFG-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds5

About N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide

N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 84594971) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID84594971
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)C(NC1CCOCC1)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9(2)11(17-10-4-6-20-7-5-10)12(19)18(3)8-13(14,15)16/h9-11,17H,4-8H2,1-3H3
InChIKeyMDVZPBXLSPJHFG-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide (CID 84594971) is N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide is CC(C)C(NC1CCOCC1)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is MDVZPBXLSPJHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(2)11(17-10-4-6-20-7-5-10)12(19)18(3)8-13(14,15)16/h9-11,17H,4-8H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide?
N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 296.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(oxan-4-ylamino)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 84594971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).