2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

C10H19F3N2O — CID 61492256

IUPAC2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CC(C)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)4-8(3)14-5-9(16)15-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyCONKLFQYVJXYLO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.69
Rot. Bonds6

About 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492256) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492256
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CC(C)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-7(2)4-8(3)14-5-9(16)15-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3,(H,15,16)
InChIKeyCONKLFQYVJXYLO-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylpentan-2-ylamino)-N-(2-methylpropyl)acetamide
CID 43372222
2-(4-methoxybutan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 64604847
2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115598401
N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372205
2-[[2-(methylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574816
2-[[(1R)-1-cyclopentylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81388594
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091
2-[[(1R)-1-cycloheptylethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81393575
2-(butan-2-ylamino)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 106176989
3-[[3-oxo-3-(2,2,2-trifluoroethylamino)propanoyl]amino]butanoic acid
CID 120522738
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936
2-(5-methylhexylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 115325811

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 61492256) is 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CC(C)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CONKLFQYVJXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-7(2)4-8(3)14-5-9(16)15-6-10(11,12)13/h7-8,14H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).