2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

C8H14F3N3O3 — CID 54874895

IUPAC2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)5-14(1-2-15)7(17)4-13-6(16)3-12/h15H,1-5,12H2,(H,13,16)
InChIKeyRGNBBUBBIQUHOP-UHFFFAOYSA-N
MW257.21 g/mol
LogP-1.56
Rot. Bonds6

About 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (PubChem CID 54874895) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
PubChem CID54874895
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC Name2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H14F3N3O3/c9-8(10,11)5-14(1-2-15)7(17)4-13-6(16)3-12/h15H,1-5,12H2,(H,13,16)
InChIKeyRGNBBUBBIQUHOP-UHFFFAOYSA-N
XLogP-1.56
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-Bis(2-hydroxyethyl)oxamide
CID 74638
N-(2-hydroxyethyl)-2-[(2-hydroxyethyl)amino]acetamide
CID 53940579
2-amino-N-(2-hydroxyethyl)acetamide
CID 14036758
N-(2-hydroxyethyl)oxalamide
CID 5249043
2,2'-(methylazanediyl)bis(N-(2-hydroxyethyl)acetamide)
CID 22892556
N-hydroxyethylaminoethyl oxamide
CID 87156919
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53531391
N-acetyl-N-(2-trifluoroacetylaminoethyl)-(2'-hydroxyethyl)amine
CID 21187761
2,2,2-Trifluoro-N-{2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl}acetamide
CID 71411634
N-ethyl-2-(2-hydroxyethylamino)-2-oxoethanaminium 2,2,2-trifluoroacetate
CID 86628586
2,2,2-Trifluoro-N-(2-(2-hydroxyethylamino)ethyl)acetamide
CID 87995133
[2-Hydroxy-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-trimethylazanium chloride
CID 90374796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (CID 54874895) is 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The InChIKey is RGNBBUBBIQUHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c9-8(10,11)5-14(1-2-15)7(17)4-13-6(16)3-12/h15H,1-5,12H2,(H,13,16).
What are the key properties of 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide has a molecular weight of 257.21 g/mol, XLogP of -1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54874895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).