N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

C25H29NO8 — CID 4838810

IUPACN-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCCC(=O)c1ccccc1OC1OC2COC(c3ccccc3OC)OC2C(O)C1NC(C)=O
InChIInChI=1S/C25H29NO8/c1-4-17(28)15-9-5-8-12-19(15)32-25-21(26-14(2)27)22(29)23-20(33-25)13-31-24(34-23)16-10-6-7-11-18(16)30-3/h5-12,20-25,29H,4,13H2,1-3H3,(H,26,27)
InChIKeyXWIGFKZLAOFXOL-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.37
Rot. Bonds7

About N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 4838810) has the molecular formula C25H29NO8 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

Compound NameN-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
PubChem CID4838810
Molecular FormulaC25H29NO8
Molecular Weight471.51 g/mol
Exact Mass471.19
IUPAC NameN-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCCC(=O)c1ccccc1OC1OC2COC(c3ccccc3OC)OC2C(O)C1NC(C)=O
InChIInChI=1S/C25H29NO8/c1-4-17(28)15-9-5-8-12-19(15)32-25-21(26-14(2)27)22(29)23-20(33-25)13-31-24(34-23)16-10-6-7-11-18(16)30-3/h5-12,20-25,29H,4,13H2,1-3H3,(H,26,27)
InChIKeyXWIGFKZLAOFXOL-UHFFFAOYSA-N
XLogP2.37
TPSA112.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide with MolForge

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Related Compounds

N-[(2S,4aR,6R,7R,8S,8aR)-8-hydroxy-6-(2-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11892629
methyl 2-[[7-acetamido-8-hydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]benzoate
CID 4965571
N-[(2S,4aR,6R,7R,8S,8aR)-2-(furan-2-yl)-8-hydroxy-6-(2-methoxyphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11887416
2-[[7-acetamido-2-(4-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]propanoic acid
CID 4965567
N-[(2S,4aR,6S,7R,8R,8aR)-8-hydroxy-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7263539
N-(8-hydroxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
CID 4914413
N-[(2S,4aR,6S,7S,8S,8aR)-8-hydroxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7223160
2-[[7-acetamido-6-(3-acetylphenoxy)-2-(2-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]acetic acid
CID 4839494
N-[(2S,4aS,6R,7S,8R,8aS)-6-(2-chlorophenoxy)-2-(furan-2-yl)-8-hydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 42228290
N-[(2S,4aR,6S,7R,8R,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11174707
N-[(6R,7S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 45039740
N-[2-(furan-2-yl)-8-hydroxy-6-[2-[(E)-3-phenylprop-2-enoyl]phenoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 18888066

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The IUPAC name of N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 4838810) is N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.
What is the SMILES notation for N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The canonical SMILES for N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is CCC(=O)c1ccccc1OC1OC2COC(c3ccccc3OC)OC2C(O)C1NC(C)=O.
What is the InChIKey of N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The InChIKey is XWIGFKZLAOFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO8/c1-4-17(28)15-9-5-8-12-19(15)32-25-21(26-14(2)27)22(29)23-20(33-25)13-31-24(34-23)16-10-6-7-11-18(16)30-3/h5-12,20-25,29H,4,13H2,1-3H3,(H,26,27).
What are the key properties of N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 471.51 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-2-(2-methoxyphenyl)-6-(2-propanoylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 4838810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).