N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide

C19H20F3NO3 — CID 170509089

IUPACN-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1c(C)cc(CCc2ccccc2)oc1=O
InChIInChI=1S/C19H20F3NO3/c1-3-23(12-19(20,21)22)17(24)16-13(2)11-15(26-18(16)25)10-9-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyBCNWTDAOGWJZID-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.76
Rot. Bonds6

About N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide

N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide (PubChem CID 170509089) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide
PubChem CID170509089
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC NameN-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1c(C)cc(CCc2ccccc2)oc1=O
InChIInChI=1S/C19H20F3NO3/c1-3-23(12-19(20,21)22)17(24)16-13(2)11-15(26-18(16)25)10-9-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyBCNWTDAOGWJZID-UHFFFAOYSA-N
XLogP3.76
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyridine-5-carboxylate
CID 20776374
Ethyl 1-[(2-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate
CID 57910121
1-(3,4-Difluoro-benzyl)-4-hydroxy-2-oxo-2H-quinolizine-3-carboxylic acid ethyl ester
CID 57910186
Ethyl 1-[(3,5-difluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate
CID 57910233
Ethyl 1-[(3,4-difluorophenyl)methyl]-7-fluoro-2-hydroxy-4-oxoquinolizine-3-carboxylate
CID 58252060
Ethyl 1-[(3,5-difluorophenyl)methyl]-7-fluoro-2-hydroxy-4-oxoquinolizine-3-carboxylate
CID 58252073
Ethyl 7-fluoro-1-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxoquinolizine-3-carboxylate
CID 58252079
Ethyl 1-[(4-fluorophenyl)methyl]-4-methoxy-6-oxo-2,3-dihydropyridine-5-carboxylate
CID 69321529
ethyl 4-ethoxy-5-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 123860072
5-Cyclopropyl-1-[2-(4-fluorophenyl)ethyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384863
5-Cyclopropyl-1-[3-(4-fluorophenyl)propyl]-1-methylfuro[3,4-c]pyridine-3,4-dione
CID 155384881
Ethyl 4-hydroxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyridine-5-carboxylate
CID 168967803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide?
The IUPAC name of N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide (CID 170509089) is N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide.
What is the SMILES notation for N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide?
The canonical SMILES for N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide is CCN(CC(F)(F)F)C(=O)c1c(C)cc(CCc2ccccc2)oc1=O.
What is the InChIKey of N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide?
The InChIKey is BCNWTDAOGWJZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-3-23(12-19(20,21)22)17(24)16-13(2)11-15(26-18(16)25)10-9-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide?
N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-oxo-6-(2-phenylethyl)-N-(2,2,2-trifluoroethyl)pyran-3-carboxamide is sourced from PubChem (CID 170509089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).