2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

C13H23F3N2O2 — CID 115950334

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)20-8-11(19)17-6-10-4-5-18(7-10)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyMBCLPUKSZGSYDT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide

2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (PubChem CID 115950334) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
PubChem CID115950334
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
SMILESCC(C)(C)OCC(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-12(2,3)20-8-11(19)17-6-10-4-5-18(7-10)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyMBCLPUKSZGSYDT-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide (CID 115950334) is 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is CC(C)(C)OCC(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is MBCLPUKSZGSYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-12(2,3)20-8-11(19)17-6-10-4-5-18(7-10)9-13(14,15)16/h10H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 115950334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).