2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide

C18H24F3N3O2 — CID 102562753

IUPAC2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC(C)(C)O1
InChIInChI=1S/C18H24F3N3O2/c1-12-7-24(10-17(2,3)26-12)16(25)22-15-6-4-5-13-8-23(9-14(13)15)11-18(19,20)21/h4-6,12H,7-11H2,1-3H3,(H,22,25)
InChIKeySLHGHJBDJJDAER-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.60
Rot. Bonds2

About 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide

2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide (PubChem CID 102562753) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
PubChem CID102562753
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
SMILESCC1CN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC(C)(C)O1
InChIInChI=1S/C18H24F3N3O2/c1-12-7-24(10-17(2,3)26-12)16(25)22-15-6-4-5-13-8-23(9-14(13)15)11-18(19,20)21/h4-6,12H,7-11H2,1-3H3,(H,22,25)
InChIKeySLHGHJBDJJDAER-UHFFFAOYSA-N
XLogP3.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide (CID 102562753) is 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide is CC1CN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC(C)(C)O1.
What is the InChIKey of 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
The InChIKey is SLHGHJBDJJDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-12-7-24(10-17(2,3)26-12)16(25)22-15-6-4-5-13-8-23(9-14(13)15)11-18(19,20)21/h4-6,12H,7-11H2,1-3H3,(H,22,25).
What are the key properties of 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 102562753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).