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

C11H20F3N3O2 — CID 115574936

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(=O)NC(C)(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-7(9(19)16-6-11(12,13)14)15-5-8(18)17-10(2,3)4/h7,15H,5-6H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySEZMFXGQEJPWOK-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.56
Rot. Bonds5

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

2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115574936) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115574936
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC(=O)NC(C)(C)C)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-7(9(19)16-6-11(12,13)14)15-5-8(18)17-10(2,3)4/h7,15H,5-6H2,1-4H3,(H,16,19)(H,17,18)
InChIKeySEZMFXGQEJPWOK-UHFFFAOYSA-N
XLogP0.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
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
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104922013
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571452
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571432
N-tert-butyl-2-[[(2R)-1-hydroxypropan-2-yl]amino]acetamide
CID 93083112
N-tert-butyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 43499899
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
N-tert-butyl-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 115627468

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115574936) is 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC(=O)NC(C)(C)C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SEZMFXGQEJPWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-7(9(19)16-6-11(12,13)14)15-5-8(18)17-10(2,3)4/h7,15H,5-6H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.29 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115574936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).