2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide

C13H23F3N2O2 — CID 56788602

IUPAC2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
SMILESCC(C)CN(CC(=O)NC1CCOCC1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-10(2)7-18(9-13(14,15)16)8-12(19)17-11-3-5-20-6-4-11/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeyOAKZDLZQDCEQIL-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds6

About 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide

2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 56788602) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID56788602
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide
SMILESCC(C)CN(CC(=O)NC1CCOCC1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-10(2)7-18(9-13(14,15)16)8-12(19)17-11-3-5-20-6-4-11/h10-11H,3-9H2,1-2H3,(H,17,19)
InChIKeyOAKZDLZQDCEQIL-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide (CID 56788602) is 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide is CC(C)CN(CC(=O)NC1CCOCC1)CC(F)(F)F.
What is the InChIKey of 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is OAKZDLZQDCEQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10(2)7-18(9-13(14,15)16)8-12(19)17-11-3-5-20-6-4-11/h10-11H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide?
2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 56788602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).