N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H23F3N2O2 — CID 66172066

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O2/c1-9(2)6-11(3,20)7-18-10(19)12(13(14,15)16)4-5-17-8-12/h9,17,20H,4-8H2,1-3H3,(H,18,19)
InChIKeyGELXLDFBTFADPC-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.44
Rot. Bonds5

About N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 66172066) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID66172066
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)CC(C)(O)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O2/c1-9(2)6-11(3,20)7-18-10(19)12(13(14,15)16)4-5-17-8-12/h9,17,20H,4-8H2,1-3H3,(H,18,19)
InChIKeyGELXLDFBTFADPC-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide 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-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 66172066) is N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)CC(C)(O)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is GELXLDFBTFADPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(2)6-11(3,20)7-18-10(19)12(13(14,15)16)4-5-17-8-12/h9,17,20H,4-8H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 66172066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).