N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid

C8H15F3N2O3 — CID 174985855

IUPACN-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCCNCC(=O)NCC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-3-7-5-6(9)8-4-2;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3,(H,8,9);(H,6,7)
InChIKeyPHWXEQBODOCNRZ-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.37
Rot. Bonds4

About N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid

N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 174985855) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID174985855
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC NameN-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCCNCC(=O)NCC.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-3-7-5-6(9)8-4-2;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3,(H,8,9);(H,6,7)
InChIKeyPHWXEQBODOCNRZ-UHFFFAOYSA-N
XLogP0.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid (CID 174985855) is N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid is CCNCC(=O)NCC.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PHWXEQBODOCNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2HF3O2/c1-3-7-5-6(9)8-4-2;3-2(4,5)1(6)7/h7H,3-5H2,1-2H3,(H,8,9);(H,6,7).
What are the key properties of N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid?
N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 244.21 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174985855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).