N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H24F3N3O — CID 78958198

IUPACN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CN(CCN(C)C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-10(2)8-18(6-5-17(3)4)11(19)7-16-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyKSAGIQASBPQSEH-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.18
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958198) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958198
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CN(CCN(C)C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C12H24F3N3O/c1-10(2)8-18(6-5-17(3)4)11(19)7-16-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyKSAGIQASBPQSEH-UHFFFAOYSA-N
XLogP1.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958198) is N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)CN(CCN(C)C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is KSAGIQASBPQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-10(2)8-18(6-5-17(3)4)11(19)7-16-9-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 283.34 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).