2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide

C8H14F3N3O2 — CID 115605711

IUPAC2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-5(2)14(3-6(12)15)7(16)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyAIHNBIZHSFNJNJ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds4

About 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide

2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide (PubChem CID 115605711) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
PubChem CID115605711
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide
SMILESCC(C)N(CC(N)=O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-5(2)14(3-6(12)15)7(16)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H2,12,15)(H,13,16)
InChIKeyAIHNBIZHSFNJNJ-UHFFFAOYSA-N
XLogP0.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-N-propan-2-yl-N-(propan-2-ylcarbamoyl)acetamide
CID 331263
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
2-[methyl(2,2,2-trifluoroethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 53546061
(2S)-2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-N-(ethylcarbamoyl)propanamide
CID 97238203
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
(3S)-3-[(2,2-difluoroacetyl)amino]-N-methylpyrrolidine-1-carboxamide
CID 57698550
(3S)-N-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 57698587
N-methyl-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxamide
CID 57698626
2,2,2-trifluoro-N-methyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 58007164
2-[2-[Di(propan-2-yl)amino]ethylcarbamoylamino]acetamide;2,2,2-trifluoroacetic acid
CID 87451575
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577
N-[2-(ethylcarbamoylamino)ethyl]-2,2,2-trifluoroacetamide
CID 87451881

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide (CID 115605711) is 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide is CC(C)N(CC(N)=O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
The InChIKey is AIHNBIZHSFNJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-5(2)14(3-6(12)15)7(16)13-4-8(9,10)11/h5H,3-4H2,1-2H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide?
2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide has a molecular weight of 241.21 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetamide is sourced from PubChem (CID 115605711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).