N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H24F3N3O — CID 78963004

IUPACN-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CC(CNC(=O)CNCC(F)(F)F)N(C)C
InChIInChI=1S/C12H24F3N3O/c1-9(2)5-10(18(3)4)6-17-11(19)7-16-8-12(13,14)15/h9-10,16H,5-8H2,1-4H3,(H,17,19)
InChIKeyWSVGWUMWJHZKGC-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.23
Rot. Bonds8

About N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78963004) has the molecular formula C12H24F3N3O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78963004
Molecular FormulaC12H24F3N3O
Molecular Weight283.34 g/mol
Exact Mass283.19
IUPAC NameN-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(C)CC(CNC(=O)CNCC(F)(F)F)N(C)C
InChIInChI=1S/C12H24F3N3O/c1-9(2)5-10(18(3)4)6-17-11(19)7-16-8-12(13,14)15/h9-10,16H,5-8H2,1-4H3,(H,17,19)
InChIKeyWSVGWUMWJHZKGC-UHFFFAOYSA-N
XLogP1.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78963004) is N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(C)CC(CNC(=O)CNCC(F)(F)F)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WSVGWUMWJHZKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O/c1-9(2)5-10(18(3)4)6-17-11(19)7-16-8-12(13,14)15/h9-10,16H,5-8H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 283.34 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78963004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).