N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

C13H21F3N2O3 — CID 102558942

IUPACN-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCC1CCCOC1
InChIInChI=1S/C13H21F3N2O3/c1-18(7-11(19)17-9-13(14,15)16)12(20)5-4-10-3-2-6-21-8-10/h10H,2-9H2,1H3,(H,17,19)
InChIKeyQJQSHYKRXASDFN-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.33
Rot. Bonds6

About N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide

N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (PubChem CID 102558942) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
PubChem CID102558942
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCC1CCCOC1
InChIInChI=1S/C13H21F3N2O3/c1-18(7-11(19)17-9-13(14,15)16)12(20)5-4-10-3-2-6-21-8-10/h10H,2-9H2,1H3,(H,17,19)
InChIKeyQJQSHYKRXASDFN-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The IUPAC name of N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide (CID 102558942) is N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide.
What is the SMILES notation for N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The canonical SMILES for N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is CN(CC(=O)NCC(F)(F)F)C(=O)CCC1CCCOC1.
What is the InChIKey of N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
The InChIKey is QJQSHYKRXASDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-18(7-11(19)17-9-13(14,15)16)12(20)5-4-10-3-2-6-21-8-10/h10H,2-9H2,1H3,(H,17,19).
What are the key properties of N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide?
N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide has a molecular weight of 310.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-3-yl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]propanamide is sourced from PubChem (CID 102558942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).