N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H17F3N2O — CID 79261008

IUPACN-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(C)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-3-7(2)4-14-8(15)5-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMCFKRVLZLMMBFZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.30
Rot. Bonds6

About N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261008) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261008
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCC(C)CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-3-7(2)4-14-8(15)5-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyMCFKRVLZLMMBFZ-UHFFFAOYSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
2-(2,2,2-trifluoroethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726464
N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260585
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103770032
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78963004
N-butan-2-yl-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]propanamide
CID 78924288
2-(butan-2-ylamino)-N-(2-methylbutyl)acetamide
CID 62691817
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924472
2-[(4-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 66091400
ethane;N-(2-methylbutyl)propanamide
CID 177054062
(2R)-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]butanoic acid
CID 79260755

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261008) is N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is CCC(C)CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is MCFKRVLZLMMBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-3-7(2)4-14-8(15)5-13-6-9(10,11)12/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).