N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide

C13H22F3N3O3 — CID 48632914

IUPACN-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C13H22F3N3O3/c1-8-5-19(7-12(3,4)22-8)9(2)10(20)18-11(21)17-6-13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,20,21)
InChIKeyCYMPTHOZGDIKJU-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.26
Rot. Bonds3

About N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide

N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide (PubChem CID 48632914) has the molecular formula C13H22F3N3O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide
PubChem CID48632914
Molecular FormulaC13H22F3N3O3
Molecular Weight325.33 g/mol
Exact Mass325.16
IUPAC NameN-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide
SMILESCC1CN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C13H22F3N3O3/c1-8-5-19(7-12(3,4)22-8)9(2)10(20)18-11(21)17-6-13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,20,21)
InChIKeyCYMPTHOZGDIKJU-UHFFFAOYSA-N
XLogP1.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide
CID 47430332
(3S,4S)-1-[1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954523
(2R)-N-(2,2,2-trifluoroethylcarbamoyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 129429877
2-(2,2,2-trifluoroethylamino)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 78958244
(2R)-N-methyl-4-[(2R)-1-oxo-1-(2,2,2-trifluoroethylcarbamoylamino)propan-2-yl]morpholine-2-carboxamide
CID 124741883
(2R)-2-(4-acetamidopiperidin-1-yl)-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 94377099
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 42955074
2-methyl-2-(propan-2-ylamino)-4-(2,2,6-trimethylmorpholin-4-yl)pentan-1-ol
CID 64789765
2-amino-2-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pentanoic acid
CID 64709559
2-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-N-propylpropanamide
CID 114782484
2,2,6-trimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 146085061
2,2,2-trifluoro-N-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]ethanamine
CID 62555443

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide (CID 48632914) is N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide is CC1CN(C(C)C(=O)NC(=O)NCC(F)(F)F)CC(C)(C)O1.
What is the InChIKey of N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide?
The InChIKey is CYMPTHOZGDIKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O3/c1-8-5-19(7-12(3,4)22-8)9(2)10(20)18-11(21)17-6-13(14,15)16/h8-9H,5-7H2,1-4H3,(H2,17,18,20,21).
What are the key properties of N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide?
N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide has a molecular weight of 325.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethylcarbamoyl)-2-(2,2,6-trimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 48632914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).