2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

C11H18F3N3O2 — CID 54870045

IUPAC2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C11H18F3N3O2/c1-7(8-2-3-8)17(6-11(12,13)14)10(19)5-16-9(18)4-15/h7-8H,2-6,15H2,1H3,(H,16,18)
InChIKeyFBXYYRFZNIATIQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.25
Rot. Bonds6

About 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide

2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (PubChem CID 54870045) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
PubChem CID54870045
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CNC(=O)CN
InChIInChI=1S/C11H18F3N3O2/c1-7(8-2-3-8)17(6-11(12,13)14)10(19)5-16-9(18)4-15/h7-8H,2-6,15H2,1H3,(H,16,18)
InChIKeyFBXYYRFZNIATIQ-UHFFFAOYSA-N
XLogP0.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-propan-2-ylacetamide
CID 51079480
2-acetamido-N-cyclopropyl-3-methylbutanamide
CID 4852101
N-propyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 45798041
2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide
CID 51077611
2-[[2-(Cyclopropylamino)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 53527288
N-[2-[methyl(pentan-3-yl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 71937068
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 71942232
(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237697
N-(2-amino-2-oxoethyl)-2,2-difluoro-3-methyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 136531532
(2S)-N-butyl-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 58730383
N~2~-(Trifluoroacetyl)valinamide
CID 71318133

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide (CID 54870045) is 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is CC(C1CC1)N(CC(F)(F)F)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
The InChIKey is FBXYYRFZNIATIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-7(8-2-3-8)17(6-11(12,13)14)10(19)5-16-9(18)4-15/h7-8H,2-6,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide?
2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide has a molecular weight of 281.28 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54870045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).