N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide

C17H27F3N2O2 — CID 46994709

IUPACN-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCCC1C(F)(F)F)NC1CCCCCCC1
InChIInChI=1S/C17H27F3N2O2/c18-17(19,20)14-9-6-12-22(14)16(24)11-10-15(23)21-13-7-4-2-1-3-5-8-13/h13-14H,1-12H2,(H,21,23)
InChIKeyQKCXKKHQOTXENJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.55
Rot. Bonds4

About N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide

N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide (PubChem CID 46994709) has the molecular formula C17H27F3N2O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide
PubChem CID46994709
Molecular FormulaC17H27F3N2O2
Molecular Weight348.41 g/mol
Exact Mass348.20
IUPAC NameN-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide
SMILESO=C(CCC(=O)N1CCCC1C(F)(F)F)NC1CCCCCCC1
InChIInChI=1S/C17H27F3N2O2/c18-17(19,20)14-9-6-12-22(14)16(24)11-10-15(23)21-13-7-4-2-1-3-5-8-13/h13-14H,1-12H2,(H,21,23)
InChIKeyQKCXKKHQOTXENJ-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide 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-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The IUPAC name of N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide (CID 46994709) is N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The canonical SMILES for N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide is O=C(CCC(=O)N1CCCC1C(F)(F)F)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
The InChIKey is QKCXKKHQOTXENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3N2O2/c18-17(19,20)14-9-6-12-22(14)16(24)11-10-15(23)21-13-7-4-2-1-3-5-8-13/h13-14H,1-12H2,(H,21,23).
What are the key properties of N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide?
N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide has a molecular weight of 348.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-4-oxo-4-[2-(trifluoromethyl)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 46994709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).