2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3N3O2 — CID 75379149

IUPAC2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-8(2,3)15-7(17)13-4-6(16)14-5-9(10,11)12/h4-5H2,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeyLNSXIQMRYZIZQI-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.76
Rot. Bonds3

About 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 75379149) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID75379149
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)NC(=O)NCC(=O)NCC(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-8(2,3)15-7(17)13-4-6(16)14-5-9(10,11)12/h4-5H2,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeyLNSXIQMRYZIZQI-UHFFFAOYSA-N
XLogP0.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 75443708
2-[[2-(dimethylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 40165312
2,2,2-trifluoro-N-methyl-N-[1-[[methyl-[1-(methylamino)propan-2-yl]carbamoyl]amino]propan-2-yl]acetamide
CID 21030157
N-tert-butyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595908
N-[2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]ethyl]-2,2,2-trifluoroacetamide
CID 87451577
2-(Ethylcarbamoylamino)-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 87486773
N-[2-(ethylcarbamoylamino)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 87486776
2-(ethylcarbamoylamino)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 156077993
H-Ala-D-aMeAla(F3)-Ala-NH2
CID 15487694
N-(ethylcarbamoyl)-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089158
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54939878
2-(tert-butylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60641181

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 75379149) is 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)NC(=O)NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LNSXIQMRYZIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-8(2,3)15-7(17)13-4-6(16)14-5-9(10,11)12/h4-5H2,1-3H3,(H,14,16)(H2,13,15,17).
What are the key properties of 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 255.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylcarbamoylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 75379149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).