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

C18H24F3N3O2 — CID 99793940

IUPAC(6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
SMILESC[C@H]1CN(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)/t12-/m0/s1
InChIKeySLHGHJBDJJDAER-LBPRGKRZSA-N
MW371.40 g/mol
LogP3.60
Rot. Bonds2

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

(6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide (PubChem CID 99793940) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
PubChem CID99793940
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name(6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide
SMILESC[C@H]1CN(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)/t12-/m0/s1
InChIKeySLHGHJBDJJDAER-LBPRGKRZSA-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

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

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Related Compounds

Indolinyl morpholin-4-yl ketone
CID 669642
2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]-4-morpholinecarboxamide
CID 3846585
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 45820844
US9133168, Example 6b
CID 76525136
US9133168, Example 8b
CID 76525137
US9133168, Example 19d
CID 76534589
US9133168, Example 36d
CID 76534650
US9133168, Example 44c
CID 77462177
US9133168, Example 6a
CID 118988726
US9133168, Example 10a
CID 118988727
US9133168, Example 32a
CID 118988732
US9133168, Example 30b
CID 118988739

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
The IUPAC name of (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide (CID 99793940) is (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide.
What is the SMILES notation for (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
The canonical SMILES for (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide is C[C@H]1CN(C(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)CC(C)(C)O1.
What is the InChIKey of (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
The InChIKey is SLHGHJBDJJDAER-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide?
(6S)-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 (6S)-2,2,6-trimethyl-N-[2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-yl]morpholine-4-carboxamide is sourced from PubChem (CID 99793940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).