N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

C23H26FNO5 — CID 170505635

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C23H26FNO5/c1-15-12-19(18-6-3-9-29-18)30-22(27)20(15)21(26)25-14-23(7-10-28-11-8-23)16-4-2-5-17(24)13-16/h2,4-5,12-13,18H,3,6-11,14H2,1H3,(H,25,26)
InChIKeyFAOCCMVTOQONLC-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.42
Rot. Bonds5

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (PubChem CID 170505635) has the molecular formula C23H26FNO5 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
PubChem CID170505635
Molecular FormulaC23H26FNO5
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCCO2)oc(=O)c1C(=O)NCC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C23H26FNO5/c1-15-12-19(18-6-3-9-29-18)30-22(27)20(15)21(26)25-14-23(7-10-28-11-8-23)16-4-2-5-17(24)13-16/h2,4-5,12-13,18H,3,6-11,14H2,1H3,(H,25,26)
InChIKeyFAOCCMVTOQONLC-UHFFFAOYSA-N
XLogP3.42
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510129
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
4-acetyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 71886816
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-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
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
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110918231

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide (CID 170505635) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is Cc1cc(C2CCCO2)oc(=O)c1C(=O)NCC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
The InChIKey is FAOCCMVTOQONLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO5/c1-15-12-19(18-6-3-9-29-18)30-22(27)20(15)21(26)25-14-23(7-10-28-11-8-23)16-4-2-5-17(24)13-16/h2,4-5,12-13,18H,3,6-11,14H2,1H3,(H,25,26).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxo-6-(oxolan-2-yl)pyran-3-carboxamide is sourced from PubChem (CID 170505635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).