2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

C12H23F3N2O — CID 113233685

IUPAC2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)C(C)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-5-10(6-2)8(3)17-9(4)11(18)16-7-12(13,14)15/h8-10,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyVSUJUOHVSKQONO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.47
Rot. Bonds7

About 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide

2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 113233685) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID113233685
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(CC)C(C)NC(C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-5-10(6-2)8(3)17-9(4)11(18)16-7-12(13,14)15/h8-10,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyVSUJUOHVSKQONO-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113484799
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106285348
2-(1-methoxypropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571403
[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]azanium chloride
CID 90216700
2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 89141345
2-(1-cyclobutylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713799
2-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 90734304
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571452
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide (CID 113233685) is 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is CCC(CC)C(C)NC(C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VSUJUOHVSKQONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-5-10(6-2)8(3)17-9(4)11(18)16-7-12(13,14)15/h8-10,17H,5-7H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 268.32 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 113233685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).