2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C18H24F3N3O4 — CID 8641948

IUPAC2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESC[C@@H]1CN(C(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1
InChIInChI=1S/C18H24F3N3O4/c1-12-8-24(9-13(2)27-12)17(26)11-23(3)10-16(25)22-14-4-6-15(7-5-14)28-18(19,20)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)/t12-,13+
InChIKeyXCLAPTJIOHCHPK-BETUJISGSA-N
MW403.40 g/mol
LogP2.09
Rot. Bonds6

About 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 8641948) has the molecular formula C18H24F3N3O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID8641948
Molecular FormulaC18H24F3N3O4
Molecular Weight403.40 g/mol
Exact Mass403.17
IUPAC Name2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESC[C@@H]1CN(C(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1
InChIInChI=1S/C18H24F3N3O4/c1-12-8-24(9-13(2)27-12)17(26)11-23(3)10-16(25)22-14-4-6-15(7-5-14)28-18(19,20)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)/t12-,13+
InChIKeyXCLAPTJIOHCHPK-BETUJISGSA-N
XLogP2.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641907
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366154
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366090
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2699943
2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8710734
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 8641948) is 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is C[C@@H]1CN(C(=O)CN(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1.
What is the InChIKey of 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XCLAPTJIOHCHPK-BETUJISGSA-N. The full InChI is InChI=1S/C18H24F3N3O4/c1-12-8-24(9-13(2)27-12)17(26)11-23(3)10-16(25)22-14-4-6-15(7-5-14)28-18(19,20)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)/t12-,13+.
What are the key properties of 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 403.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 8641948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).