2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H17F3N2O2 — CID 167104289

IUPAC2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)NCC(=O)N(CC=O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)14-6-8(17)15(4-5-16)7-10(11,12)13/h5,14H,4,6-7H2,1-3H3
InChIKeyWZVBQIUZTNSMFM-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.96
Rot. Bonds5

About 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 167104289) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID167104289
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)(C)NCC(=O)N(CC=O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-9(2,3)14-6-8(17)15(4-5-16)7-10(11,12)13/h5,14H,4,6-7H2,1-3H3
InChIKeyWZVBQIUZTNSMFM-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 167104289) is 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)(C)NCC(=O)N(CC=O)CC(F)(F)F.
What is the InChIKey of 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WZVBQIUZTNSMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-9(2,3)14-6-8(17)15(4-5-16)7-10(11,12)13/h5,14H,4,6-7H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-oxoethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 167104289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).