(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide

C13H19F3N4O2 — CID 120941000

IUPAC(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C13H19F3N4O2/c1-9-11(18-4-6-22-9)12(21)19(2)7-10-17-3-5-20(10)8-13(14,15)16/h3,5,9,11,18H,4,6-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyCEIHMRRNIRFZJX-KOLCDFICSA-N
MW320.32 g/mol
LogP0.78
Rot. Bonds4

About (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide

(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide (PubChem CID 120941000) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide
PubChem CID120941000
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C13H19F3N4O2/c1-9-11(18-4-6-22-9)12(21)19(2)7-10-17-3-5-20(10)8-13(14,15)16/h3,5,9,11,18H,4,6-8H2,1-2H3/t9-,11+/m1/s1
InChIKeyCEIHMRRNIRFZJX-KOLCDFICSA-N
XLogP0.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide (CID 120941000) is (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)Cc1nccn1CC(F)(F)F.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide?
The InChIKey is CEIHMRRNIRFZJX-KOLCDFICSA-N. The full InChI is InChI=1S/C13H19F3N4O2/c1-9-11(18-4-6-22-9)12(21)19(2)7-10-17-3-5-20(10)8-13(14,15)16/h3,5,9,11,18H,4,6-8H2,1-2H3/t9-,11+/m1/s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide?
(2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120941000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).