6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide

C23H26FNO4 — CID 170510129

IUPAC6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C23H26FNO4/c1-15-12-19(16-4-2-5-16)29-22(27)20(15)21(26)25-14-23(8-10-28-11-9-23)17-6-3-7-18(24)13-17/h3,6-7,12-13,16H,2,4-5,8-11,14H2,1H3,(H,25,26)
InChIKeyXKXYFKUEQKEACS-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.83
Rot. Bonds5

About 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide

6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170510129) has the molecular formula C23H26FNO4 and a molecular weight of 399.46 g/mol. Its IUPAC name is 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170510129
Molecular FormulaC23H26FNO4
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C23H26FNO4/c1-15-12-19(16-4-2-5-16)29-22(27)20(15)21(26)25-14-23(8-10-28-11-9-23)17-6-3-7-18(24)13-17/h3,6-7,12-13,16H,2,4-5,8-11,14H2,1H3,(H,25,26)
InChIKeyXKXYFKUEQKEACS-UHFFFAOYSA-N
XLogP3.83
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide with MolForge

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Related Compounds

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
CID 170505635
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170512927
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 71886816
(3S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 125447763
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
2-(4-fluorophenyl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 46976047
3-fluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450060
N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 50959923
(2S)-N-cyclopentyl-2-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]propanamide
CID 95125347

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170510129) is 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide is Cc1cc(C2CCC2)oc(=O)c1C(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is XKXYFKUEQKEACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO4/c1-15-12-19(16-4-2-5-16)29-22(27)20(15)21(26)25-14-23(8-10-28-11-9-23)17-6-3-7-18(24)13-17/h3,6-7,12-13,16H,2,4-5,8-11,14H2,1H3,(H,25,26).
What are the key properties of 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide?
6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170510129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).