N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide

C13H22F3NO2 — CID 112604322

IUPACN-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)COC(C)(C)C
InChIInChI=1S/C13H22F3NO2/c1-9(10-5-6-10)17(8-13(14,15)16)11(18)7-19-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyBGPRGIIDCVTSMN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.99
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide

N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112604322) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112604322
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC NameN-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)COC(C)(C)C
InChIInChI=1S/C13H22F3NO2/c1-9(10-5-6-10)17(8-13(14,15)16)11(18)7-19-12(2,3)4/h9-10H,5-8H2,1-4H3
InChIKeyBGPRGIIDCVTSMN-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)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 N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide (CID 112604322) is N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide is CC(C1CC1)N(CC(F)(F)F)C(=O)COC(C)(C)C.
What is the InChIKey of N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BGPRGIIDCVTSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-9(10-5-6-10)17(8-13(14,15)16)11(18)7-19-12(2,3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide?
N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112604322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).