2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

C9H17F3N2O — CID 62636977

IUPAC2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNC(C)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-6(2)14(5-9(10,11)12)8(15)7(3)13-4/h6-7,13H,5H2,1-4H3
InChIKeyKRVBFQPFCVTIFE-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds4

About 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide

2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 62636977) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID62636977
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCNC(C)C(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H17F3N2O/c1-6(2)14(5-9(10,11)12)8(15)7(3)13-4/h6-7,13H,5H2,1-4H3
InChIKeyKRVBFQPFCVTIFE-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645
2-methyl-3-oxo-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 114897583
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 61165092
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024502
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 103929257
4-methyl-2-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 134570976
3-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)urea
CID 115585947
2-(methylamino)-N-propan-2-yl-N-prop-2-enylpropanamide
CID 62638239
(2S)-2-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144500
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 64592028

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide (CID 62636977) is 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is CNC(C)C(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KRVBFQPFCVTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-6(2)14(5-9(10,11)12)8(15)7(3)13-4/h6-7,13H,5H2,1-4H3.
What are the key properties of 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide?
2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 226.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 62636977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).