N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

C20H24N2O7 — CID 51053797

IUPACN-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c1
InChIInChI=1S/C20H24N2O7/c1-25-14-3-4-18(26-2)16(9-14)21-20(24)13-29-19-12-28-15(10-17(19)23)11-22-5-7-27-8-6-22/h3-4,9-10,12H,5-8,11,13H2,1-2H3,(H,21,24)
InChIKeyUMHLIEFHUHRBBP-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.51
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 51053797) has the molecular formula C20H24N2O7 and a molecular weight of 404.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID51053797
Molecular FormulaC20H24N2O7
Molecular Weight404.42 g/mol
Exact Mass404.16
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c1
InChIInChI=1S/C20H24N2O7/c1-25-14-3-4-18(26-2)16(9-14)21-20(24)13-29-19-12-28-15(10-17(19)23)11-22-5-7-27-8-6-22/h3-4,9-10,12H,5-8,11,13H2,1-2H3,(H,21,24)
InChIKeyUMHLIEFHUHRBBP-UHFFFAOYSA-N
XLogP1.51
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(5-chloro-2-methoxyphenyl)acetamide
CID 71709723
N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51054597
N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51052882
N-[(4-methoxyphenyl)methyl]-2-[4-oxo-6-(piperidin-1-ylmethyl)pyran-3-yl]oxyacetamide
CID 51044682
N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 86207746
N-[(4-fluorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 71829044
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
CID 134064364
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylquinolin-8-yl)oxyacetamide
CID 16812603
2-[6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-oxopyran-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 51043423

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (CID 51053797) is N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is COc1ccc(OC)c(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is UMHLIEFHUHRBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7/c1-25-14-3-4-18(26-2)16(9-14)21-20(24)13-29-19-12-28-15(10-17(19)23)11-22-5-7-27-8-6-22/h3-4,9-10,12H,5-8,11,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 404.42 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 51053797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).