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

C18H18Cl2N2O5 — CID 51052882

IUPACN-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCOCC2)cc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O5/c19-12-5-13(20)7-14(6-12)21-18(24)11-27-17-10-26-15(8-16(17)23)9-22-1-3-25-4-2-22/h5-8,10H,1-4,9,11H2,(H,21,24)
InChIKeyYQBAJAAIFVKFTA-UHFFFAOYSA-N
MW413.26 g/mol
LogP2.80
Rot. Bonds6

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

N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (PubChem CID 51052882) has the molecular formula C18H18Cl2N2O5 and a molecular weight of 413.26 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
PubChem CID51052882
Molecular FormulaC18H18Cl2N2O5
Molecular Weight413.26 g/mol
Exact Mass412.06
IUPAC NameN-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
SMILESO=C(COc1coc(CN2CCOCC2)cc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O5/c19-12-5-13(20)7-14(6-12)21-18(24)11-27-17-10-26-15(8-16(17)23)9-22-1-3-25-4-2-22/h5-8,10H,1-4,9,11H2,(H,21,24)
InChIKeyYQBAJAAIFVKFTA-UHFFFAOYSA-N
XLogP2.80
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51054597
N-(1H-indol-5-yl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 86207746
N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51053797
N-[(4-fluorophenyl)methyl]-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 71829044
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
2-[6-(azepan-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(5-chloro-2-methoxyphenyl)acetamide
CID 71709723
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(3-chlorophenyl)-2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7178595
2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 979211
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-(morpholin-4-ylmethyl)pyran-4-one
CID 75491521
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-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide (CID 51052882) is N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is O=C(COc1coc(CN2CCOCC2)cc1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
The InChIKey is YQBAJAAIFVKFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O5/c19-12-5-13(20)7-14(6-12)21-18(24)11-27-17-10-26-15(8-16(17)23)9-22-1-3-25-4-2-22/h5-8,10H,1-4,9,11H2,(H,21,24).
What are the key properties of N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide?
N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide has a molecular weight of 413.26 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide is sourced from PubChem (CID 51052882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).