4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one

C20H20F3NO4 — CID 170503476

IUPAC4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C20H20F3NO4/c1-13-11-15(8-7-14-5-3-2-4-6-14)28-19(26)17(13)18(25)24-9-10-27-16(12-24)20(21,22)23/h2-6,11,16H,7-10,12H2,1H3
InChIKeyQXDZQPSVJBRDOI-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.14
Rot. Bonds4

About 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one

4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one (PubChem CID 170503476) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one
PubChem CID170503476
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C20H20F3NO4/c1-13-11-15(8-7-14-5-3-2-4-6-14)28-19(26)17(13)18(25)24-9-10-27-16(12-24)20(21,22)23/h2-6,11,16H,7-10,12H2,1H3
InChIKeyQXDZQPSVJBRDOI-UHFFFAOYSA-N
XLogP3.14
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-(3-morpholin-4-ylpropyl)-1-(2-phenylethyl)furo[3,4-c]pyridine-3,4-dione
CID 71602492
(E)-3-(4,5-dimethoxycyclohexa-1,3-dien-1-yl)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 163552817
5-{[4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl]carbonyl}-4-methyl-3',4',5',6'-tetrahydro-2'H,6H-2,4'-bipyran-6-one
CID 169417970
5-{[2-(4-fluorophenyl)-4-morpholinyl]carbonyl}-4-methyl-3',4',5',6'-tetrahydro-2'H,6H-2,4'-bipyran-6-one
CID 170502835
3-{[4-(2-fluorobenzyl)-1-piperidinyl]carbonyl}-4-methyl-6-(tetrahydro-2-furanyl)-2H-pyran-2-one
CID 170503215
3-[(3,3-difluoro-1-pyrrolidinyl)carbonyl]-4-methyl-6-(3-phenylpropyl)-2H-pyran-2-one
CID 170504135
3-{[rel-(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]carbonyl}-4-methyl-6-(3-phenylpropyl)-2H-pyran-2-one
CID 170504419
3-[(3-fluoro-1-azetidinyl)carbonyl]-4-methyl-6-(2-phenylethyl)-2H-pyran-2-one
CID 170504794
3-{[rel-(3R,4R)-3-fluoro-4-hydroxy-1-pyrrolidinyl]carbonyl}-4-methyl-6-(2-phenylethyl)-2H-pyran-2-one
CID 170504930
3-[(3,3-difluoro-1-piperidinyl)carbonyl]-4-methyl-6-(2-phenylethyl)-2H-pyran-2-one
CID 170505486
4-methyl-6-(3-phenylpropyl)-3-{[4-(trifluoromethyl)-1-piperidinyl]carbonyl}-2H-pyran-2-one
CID 170506788
3-[(6,6-difluoro-3-azabicyclo[3.1.0]hex-3-yl)carbonyl]-4-methyl-6-(3-phenylpropyl)-2H-pyran-2-one
CID 170506947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one?
The IUPAC name of 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one (CID 170503476) is 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one.
What is the SMILES notation for 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one?
The canonical SMILES for 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one is Cc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one?
The InChIKey is QXDZQPSVJBRDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-13-11-15(8-7-14-5-3-2-4-6-14)28-19(26)17(13)18(25)24-9-10-27-16(12-24)20(21,22)23/h2-6,11,16H,7-10,12H2,1H3.
What are the key properties of 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one?
4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one has a molecular weight of 395.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-phenylethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]pyran-2-one is sourced from PubChem (CID 170503476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).