N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H23F3N2O2 — CID 106148229

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2,4-3-7-19)8-18-10(20)12(13(14,15)16)5-6-17-9-12/h17,19H,3-9H2,1-2H3,(H,18,20)
InChIKeyDLLVWHWRZFGCBH-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.44
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106148229) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106148229
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O2/c1-11(2,4-3-7-19)8-18-10(20)12(13(14,15)16)5-6-17-9-12/h17,19H,3-9H2,1-2H3,(H,18,20)
InChIKeyDLLVWHWRZFGCBH-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106148229) is N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(C)(CCCO)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is DLLVWHWRZFGCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-11(2,4-3-7-19)8-18-10(20)12(13(14,15)16)5-6-17-9-12/h17,19H,3-9H2,1-2H3,(H,18,20).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106148229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).