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

C23H23NO7 — CID 4629810

IUPACN-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)NC1C(Oc2ccc3ccccc3c2)OC2COC(c3ccco3)OC2C1O
InChIInChI=1S/C23H23NO7/c1-13(25)24-19-20(26)21-18(12-28-22(31-21)17-7-4-10-27-17)30-23(19)29-16-9-8-14-5-2-3-6-15(14)11-16/h2-11,18-23,26H,12H2,1H3,(H,24,25)
InChIKeyDKCLHHYCGQVLLJ-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.52
Rot. Bonds4

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

N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 4629810) has the molecular formula C23H23NO7 and a molecular weight of 425.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
PubChem CID4629810
Molecular FormulaC23H23NO7
Molecular Weight425.44 g/mol
Exact Mass425.15
IUPAC NameN-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCC(=O)NC1C(Oc2ccc3ccccc3c2)OC2COC(c3ccco3)OC2C1O
InChIInChI=1S/C23H23NO7/c1-13(25)24-19-20(26)21-18(12-28-22(31-21)17-7-4-10-27-17)30-23(19)29-16-9-8-14-5-2-3-6-15(14)11-16/h2-11,18-23,26H,12H2,1H3,(H,24,25)
InChIKeyDKCLHHYCGQVLLJ-UHFFFAOYSA-N
XLogP2.52
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S,4aR,6S,7S,8S,8aR)-2-(furan-2-yl)-8-hydroxy-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124897822
N-[(2S,4aR,6S,7S,8S,8aR)-6-(4-acetylphenoxy)-2-(furan-2-yl)-8-hydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124897863
N-[2-(furan-2-yl)-8-hydroxy-6-(4-methyl-2-oxochromen-7-yl)oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 4967454
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
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,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-[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
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
N-[8-hydroxy-6-(3-methylphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 4912950
N-[2-(furan-2-yl)-8-hydroxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 18888062
2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 4629454

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The IUPAC name of N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 4629810) is N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is CC(=O)NC1C(Oc2ccc3ccccc3c2)OC2COC(c3ccco3)OC2C1O.
What is the InChIKey of N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The InChIKey is DKCLHHYCGQVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO7/c1-13(25)24-19-20(26)21-18(12-28-22(31-21)17-7-4-10-27-17)30-23(19)29-16-9-8-14-5-2-3-6-15(14)11-16/h2-11,18-23,26H,12H2,1H3,(H,24,25).
What are the key properties of N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 425.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 4629810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).