N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3N3O2 — CID 54872054

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-13-4-7(16)15(6-9(10,11)12)5-8(17)14(2)3/h13H,4-6H2,1-3H3
InChIKeyKRHRFCOMYAAUEY-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.32
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide

N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54872054) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54872054
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-13-4-7(16)15(6-9(10,11)12)5-8(17)14(2)3/h13H,4-6H2,1-3H3
InChIKeyKRHRFCOMYAAUEY-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-oxo-N-(2,2,2-trifluoroethyl)butanamide
CID 54876613
2-amino-N-[2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60947678
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61266021
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79815221
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155176
N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide
CID 102655902
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 61164150
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanediamide
CID 60947251
N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86839979
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60946492
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61163957
N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid
CID 87663506

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 54872054) is N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide is CNCC(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KRHRFCOMYAAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-13-4-7(16)15(6-9(10,11)12)5-8(17)14(2)3/h13H,4-6H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.24 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54872054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).