4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide

C20H20F3NO4 — CID 169418462

IUPAC4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO4/c1-12-10-16(15-6-3-9-27-15)28-19(26)17(12)18(25)24-8-7-13-4-2-5-14(11-13)20(21,22)23/h2,4-5,10-11,15H,3,6-9H2,1H3,(H,24,25)
InChIKeyLWRDFVKWWCVUDD-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.79
Rot. Bonds5

About 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide

4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide (PubChem CID 169418462) has the molecular formula C20H20F3NO4 and a molecular weight of 395.38 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide
PubChem CID169418462
Molecular FormulaC20H20F3NO4
Molecular Weight395.38 g/mol
Exact Mass395.13
IUPAC Name4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3NO4/c1-12-10-16(15-6-3-9-27-15)28-19(26)17(12)18(25)24-8-7-13-4-2-5-14(11-13)20(21,22)23/h2,4-5,10-11,15H,3,6-9H2,1H3,(H,24,25)
InChIKeyLWRDFVKWWCVUDD-UHFFFAOYSA-N
XLogP3.79
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-oxo-2,2-dipropyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 144448387
N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 169419395
3-[4-[(2-Fluorophenyl)methyl]piperidine-1-carbonyl]-4-methyl-6-(oxolan-2-yl)pyran-2-one
CID 170503215
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170505635
6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170512700
4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(1-phenylcyclopentyl)methyl]pyran-3-carboxamide
CID 169411239
4-methyl-6-(oxan-4-yl)-2-oxo-N-(3-phenylpropyl)pyran-3-carboxamide
CID 169411397
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
N-(1-benzylpiperidin-4-yl)-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 169413429
4-methyl-2-oxo-6-(oxolan-2-yl)-N-(3-phenylpropyl)pyran-3-carboxamide
CID 169420677
4-methyl-2-oxo-N-[3-(oxolan-3-yl)propyl]-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170505318
N-ethyl-4-methyl-2-oxo-6-(oxolan-2-yl)-N-[(E)-3-phenylprop-2-enyl]pyran-3-carboxamide
CID 170506927

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide (CID 169418462) is 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide is Cc1cc(C2CCCO2)oc(=O)c1C(=O)NCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide?
The InChIKey is LWRDFVKWWCVUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO4/c1-12-10-16(15-6-3-9-27-15)28-19(26)17(12)18(25)24-8-7-13-4-2-5-14(11-13)20(21,22)23/h2,4-5,10-11,15H,3,6-9H2,1H3,(H,24,25).
What are the key properties of 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide?
4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(oxolan-2-yl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyran-3-carboxamide is sourced from PubChem (CID 169418462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).