N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C14H23F3N2O3 — CID 78860212

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(CC(C)C)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O3/c1-10(2)7-18(4-5-22-3)13(21)11-6-12(20)19(8-11)9-14(15,16)17/h10-11H,4-9H2,1-3H3
InChIKeyFPDVHSGXRBSMOO-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.53
Rot. Bonds7

About N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 78860212) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID78860212
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(CC(C)C)C(=O)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O3/c1-10(2)7-18(4-5-22-3)13(21)11-6-12(20)19(8-11)9-14(15,16)17/h10-11H,4-9H2,1-3H3
InChIKeyFPDVHSGXRBSMOO-UHFFFAOYSA-N
XLogP1.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 78860212) is N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is COCCN(CC(C)C)C(=O)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is FPDVHSGXRBSMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-10(2)7-18(4-5-22-3)13(21)11-6-12(20)19(8-11)9-14(15,16)17/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78860212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).