2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide

C23H19NO8 — CID 99999071

IUPAC2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide
SMILESCC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1cccc(OCC(N)=O)c1)CC(=O)O2
InChIInChI=1S/C23H19NO8/c1-10-6-16(27)31-22-18(10)21(29)19(11(2)25)23-20(22)14(8-17(28)32-23)12-4-3-5-13(7-12)30-9-15(24)26/h3-7,14,29H,8-9H2,1-2H3,(H2,24,26)/t14-/m0/s1
InChIKeyZXXFSZFIBNSSGV-AWEZNQCLSA-N
MW437.40 g/mol
LogP2.31
Rot. Bonds5

About 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide

2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide (PubChem CID 99999071) has the molecular formula C23H19NO8 and a molecular weight of 437.40 g/mol. Its IUPAC name is 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide
PubChem CID99999071
Molecular FormulaC23H19NO8
Molecular Weight437.40 g/mol
Exact Mass437.11
IUPAC Name2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide
SMILESCC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1cccc(OCC(N)=O)c1)CC(=O)O2
InChIInChI=1S/C23H19NO8/c1-10-6-16(27)31-22-18(10)21(29)19(11(2)25)23-20(22)14(8-17(28)32-23)12-4-3-5-13(7-12)30-9-15(24)26/h3-7,14,29H,8-9H2,1-2H3,(H2,24,26)/t14-/m0/s1
InChIKeyZXXFSZFIBNSSGV-AWEZNQCLSA-N
XLogP2.31
TPSA146.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 102564845
(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 99985297
6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 91637784
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295
2-[3-[(2Z)-3,7-dioxo-2-(pyridin-3-ylmethylidene)-8,9-dihydrofuro[2,3-f]chromen-9-yl]phenoxy]acetamide
CID 102564674
(8-acetyl-4-methyl-2-oxochromen-7-yl) 2-(3-methylphenoxy)acetate
CID 19172547
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 767870
2-[3-[3-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135876821
2-[3-[(4S)-3-methyl-6-oxo-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135902793
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
10-(3-chloro-4-hydroxyphenyl)-6-hydroxy-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 171038297

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide (CID 99999071) is 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide is CC(=O)c1c2c(c3oc(=O)cc(C)c3c1O)[C@H](c1cccc(OCC(N)=O)c1)CC(=O)O2.
What is the InChIKey of 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide?
The InChIKey is ZXXFSZFIBNSSGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19NO8/c1-10-6-16(27)31-22-18(10)21(29)19(11(2)25)23-20(22)14(8-17(28)32-23)12-4-3-5-13(7-12)30-9-15(24)26/h3-7,14,29H,8-9H2,1-2H3,(H2,24,26)/t14-/m0/s1.
What are the key properties of 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide?
2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide has a molecular weight of 437.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide is sourced from PubChem (CID 99999071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).