2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

C8H14F3N3O2 — CID 115574816

IUPAC2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNC(=O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-5(13-3-6(15)12-2)7(16)14-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,15)(H,14,16)
InChIKeyVUARMKBTUWLRNU-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.61
Rot. Bonds5

About 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115574816) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115574816
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNC(=O)CNC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-5(13-3-6(15)12-2)7(16)14-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,15)(H,14,16)
InChIKeyVUARMKBTUWLRNU-UHFFFAOYSA-N
XLogP-0.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104922013
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492256
2-[(1-methylcyclopropyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103724720
2-[3-(2-hydroxyethoxy)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106309732
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106285348
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
2-(2-ethylsulfinylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 113494695
2-(pent-4-ynylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 103711244

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115574816) is 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CNC(=O)CNC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VUARMKBTUWLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-5(13-3-6(15)12-2)7(16)14-4-8(9,10)11/h5,13H,3-4H2,1-2H3,(H,12,15)(H,14,16).
What are the key properties of 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 241.21 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115574816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).