N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C15H24F3N3O3 — CID 55608525

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC1CN(CCNC(=O)C2CC(=O)N(CC(F)(F)F)C2)CC(C)O1
InChIInChI=1S/C15H24F3N3O3/c1-10-6-20(7-11(2)24-10)4-3-19-14(23)12-5-13(22)21(8-12)9-15(16,17)18/h10-12H,3-9H2,1-2H3,(H,19,23)
InChIKeySJRSFSZVPFCOHE-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.62
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 55608525) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID55608525
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCC1CN(CCNC(=O)C2CC(=O)N(CC(F)(F)F)C2)CC(C)O1
InChIInChI=1S/C15H24F3N3O3/c1-10-6-20(7-11(2)24-10)4-3-19-14(23)12-5-13(22)21(8-12)9-15(16,17)18/h10-12H,3-9H2,1-2H3,(H,19,23)
InChIKeySJRSFSZVPFCOHE-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 55608525) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CC1CN(CCNC(=O)C2CC(=O)N(CC(F)(F)F)C2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is SJRSFSZVPFCOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-10-6-20(7-11(2)24-10)4-3-19-14(23)12-5-13(22)21(8-12)9-15(16,17)18/h10-12H,3-9H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55608525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).