N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

C20H22N2O6 — CID 51054597

IUPACN-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c1
InChIInChI=1S/C20H22N2O6/c1-14(23)15-3-2-4-16(9-15)21-20(25)13-28-19-12-27-17(10-18(19)24)11-22-5-7-26-8-6-22/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,21,25)
InChIKeyPMFRKYLPHHZEGL-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.69
Rot. Bonds7

About N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 51054597) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID51054597
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC NameN-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c1
InChIInChI=1S/C20H22N2O6/c1-14(23)15-3-2-4-16(9-15)21-20(25)13-28-19-12-27-17(10-18(19)24)11-22-5-7-26-8-6-22/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,21,25)
InChIKeyPMFRKYLPHHZEGL-UHFFFAOYSA-N
XLogP1.69
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51052882
N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 86207746
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51053797
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
N-[(4-fluorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 71829044
N-[4-[2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxyacetyl]phenyl]acetamide
CID 71700457
N-(2,3-dimethylphenyl)-2-[4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]pyran-3-yl]oxyacetamide
CID 16802988
2-[6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-(3-nitrophenyl)acetamide
CID 16822777
N-(3-chlorophenyl)-2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7178595
N-(3-acetamidophenyl)-2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)acetamide
CID 30147347
2-(morpholin-4-ylmethyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]pyran-4-one
CID 71708802

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (CID 51054597) is N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is CC(=O)c1cccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is PMFRKYLPHHZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-14(23)15-3-2-4-16(9-15)21-20(25)13-28-19-12-27-17(10-18(19)24)11-22-5-7-26-8-6-22/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 386.40 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 51054597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).