3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide

C11H18F3N3O3 — CID 116657490

IUPAC3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c1-7(2)16-9(18)8-5-20-4-3-17(8)10(19)15-6-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyZHLFKQHPUOXICF-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.48
Rot. Bonds3

About 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide

3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide (PubChem CID 116657490) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
PubChem CID116657490
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
SMILESCC(C)NC(=O)C1COCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c1-7(2)16-9(18)8-5-20-4-3-17(8)10(19)15-6-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyZHLFKQHPUOXICF-UHFFFAOYSA-N
XLogP0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 72023436
2-morpholin-4-yl-N-(propan-2-ylcarbamoyl)propanamide
CID 51242480
N-ethyl-4-[3-(2,2,2-trifluoroethoxy)propanoyl]piperazine-1-carboxamide
CID 53609104
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
(6S)-6-[(2-methylpropan-2-yl)oxymethyl]-1-(trifluoromethyl)piperazine-2,5-dione
CID 146435298
N-(3-fluoro-2-oxopropyl)-4-methylmorpholine-3-carboxamide
CID 155418120
2-(propan-2-ylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948883
2-(propan-2-ylamino)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948884
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8430390
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8430391
1-Morpholin-4-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089166

Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide?
The IUPAC name of 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide (CID 116657490) is 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide?
The canonical SMILES for 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide is CC(C)NC(=O)C1COCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide?
The InChIKey is ZHLFKQHPUOXICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-7(2)16-9(18)8-5-20-4-3-17(8)10(19)15-6-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide?
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide has a molecular weight of 297.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide is sourced from PubChem (CID 116657490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).