N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide

C14H25F3N2O3 — CID 47031581

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1CN(C(C)CNC(=O)C(C)OCC(F)(F)F)CC(C)O1
InChIInChI=1S/C14H25F3N2O3/c1-9(19-6-10(2)22-11(3)7-19)5-18-13(20)12(4)21-8-14(15,16)17/h9-12H,5-8H2,1-4H3,(H,18,20)
InChIKeyQMUNZAFBNHRAQO-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 47031581) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID47031581
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC1CN(C(C)CNC(=O)C(C)OCC(F)(F)F)CC(C)O1
InChIInChI=1S/C14H25F3N2O3/c1-9(19-6-10(2)22-11(3)7-19)5-18-13(20)12(4)21-8-14(15,16)17/h9-12H,5-8H2,1-4H3,(H,18,20)
InChIKeyQMUNZAFBNHRAQO-UHFFFAOYSA-N
XLogP1.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 47031581) is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide is CC1CN(C(C)CNC(=O)C(C)OCC(F)(F)F)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QMUNZAFBNHRAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-9(19-6-10(2)22-11(3)7-19)5-18-13(20)12(4)21-8-14(15,16)17/h9-12H,5-8H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 47031581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).