N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H21F3N2O2 — CID 107199306

IUPACN-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CCCCCO)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-17(7-3-2-4-8-18)10(19)11(12(13,14)15)5-6-16-9-11/h16,18H,2-9H2,1H3
InChIKeyNPNHTGGOMRJLII-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.15
Rot. Bonds6

About N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 107199306) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID107199306
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(CCCCCO)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H21F3N2O2/c1-17(7-3-2-4-8-18)10(19)11(12(13,14)15)5-6-16-9-11/h16,18H,2-9H2,1H3
InChIKeyNPNHTGGOMRJLII-UHFFFAOYSA-N
XLogP1.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 107199306) is N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(CCCCCO)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NPNHTGGOMRJLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-17(7-3-2-4-8-18)10(19)11(12(13,14)15)5-6-16-9-11/h16,18H,2-9H2,1H3.
What are the key properties of N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 107199306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).