2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide

C14H24F6N4O2 — CID 91721401

IUPAC2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide
SMILESCN(CCN(C)CCN(C)C(=O)C(F)(F)F)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C14H24F6N4O2/c1-21(7-9-23(3)11(25)13(15,16)17)5-6-22(2)8-10-24(4)12(26)14(18,19)20/h5-10H2,1-4H3
InChIKeyKEBCFUDISOKNML-UHFFFAOYSA-N
MW394.36 g/mol
LogP0.89
Rot. Bonds9

About 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide

2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide (PubChem CID 91721401) has the molecular formula C14H24F6N4O2 and a molecular weight of 394.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide
PubChem CID91721401
Molecular FormulaC14H24F6N4O2
Molecular Weight394.36 g/mol
Exact Mass394.18
IUPAC Name2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide
SMILESCN(CCN(C)CCN(C)C(=O)C(F)(F)F)CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C14H24F6N4O2/c1-21(7-9-23(3)11(25)13(15,16)17)5-6-22(2)8-10-24(4)12(26)14(18,19)20/h5-10H2,1-4H3
InChIKeyKEBCFUDISOKNML-UHFFFAOYSA-N
XLogP0.89
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide (CID 91721401) is 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide is CN(CCN(C)CCN(C)C(=O)C(F)(F)F)CCN(C)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide?
The InChIKey is KEBCFUDISOKNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F6N4O2/c1-21(7-9-23(3)11(25)13(15,16)17)5-6-22(2)8-10-24(4)12(26)14(18,19)20/h5-10H2,1-4H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide has a molecular weight of 394.36 g/mol, XLogP of 0.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]amino]ethyl]acetamide is sourced from PubChem (CID 91721401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).