N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid

C9H16F3N3O4 — CID 87410217

IUPACN-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)CNC(=O)CNC.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O2.C2HF3O2/c1-3-9-7(12)5-10-6(11)4-8-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3,(H,9,12)(H,10,11);(H,6,7)
InChIKeyBPGTZZYVNVOZME-UHFFFAOYSA-N
MW287.24 g/mol
LogP-0.91
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid

N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 87410217) has the molecular formula C9H16F3N3O4 and a molecular weight of 287.24 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
PubChem CID87410217
Molecular FormulaC9H16F3N3O4
Molecular Weight287.24 g/mol
Exact Mass287.11
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)CNC(=O)CNC.O=C(O)C(F)(F)F
InChIInChI=1S/C7H15N3O2.C2HF3O2/c1-3-9-7(12)5-10-6(11)4-8-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3,(H,9,12)(H,10,11);(H,6,7)
InChIKeyBPGTZZYVNVOZME-UHFFFAOYSA-N
XLogP-0.91
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid (CID 87410217) is N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid is CCNC(=O)CNC(=O)CNC.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is BPGTZZYVNVOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C2HF3O2/c1-3-9-7(12)5-10-6(11)4-8-2;3-2(4,5)1(6)7/h8H,3-5H2,1-2H3,(H,9,12)(H,10,11);(H,6,7).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid?
N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 287.24 g/mol, XLogP of -0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-2-(methylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87410217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).