2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide

C24H25NO7 — CID 171340353

IUPAC2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)NCC4CCOCC4)cc(O)c3c2=O)cc1
InChIInChI=1S/C24H25NO7/c1-29-17-4-2-16(3-5-17)19-13-32-21-11-18(10-20(26)23(21)24(19)28)31-14-22(27)25-12-15-6-8-30-9-7-15/h2-5,10-11,13,15,26H,6-9,12,14H2,1H3,(H,25,27)
InChIKeyDURHWHLRQCGWMD-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.10
Rot. Bonds7

About 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide

2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide (PubChem CID 171340353) has the molecular formula C24H25NO7 and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
PubChem CID171340353
Molecular FormulaC24H25NO7
Molecular Weight439.46 g/mol
Exact Mass439.16
IUPAC Name2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)NCC4CCOCC4)cc(O)c3c2=O)cc1
InChIInChI=1S/C24H25NO7/c1-29-17-4-2-16(3-5-17)19-13-32-21-11-18(10-20(26)23(21)24(19)28)31-14-22(27)25-12-15-6-8-30-9-7-15/h2-5,10-11,13,15,26H,6-9,12,14H2,1H3,(H,25,27)
InChIKeyDURHWHLRQCGWMD-UHFFFAOYSA-N
XLogP3.10
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 171324386
5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 163355414
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-(2-bromoethyl)carbamate
CID 70687672
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
CID 163355407
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] 4-benzylpiperidine-1-carboxylate
CID 71664265
(2R)-2-[[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetyl]amino]propanoic acid
CID 15384406
2-[4-(5,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 166633689
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
CID 71664178
tert-butyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 67521570
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 7067374
7-(3,7-dimethylocta-2,6-dienoxy)-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
CID 163053489
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 90064063

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide (CID 171340353) is 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide is COc1ccc(-c2coc3cc(OCC(=O)NCC4CCOCC4)cc(O)c3c2=O)cc1.
What is the InChIKey of 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is DURHWHLRQCGWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO7/c1-29-17-4-2-16(3-5-17)19-13-32-21-11-18(10-20(26)23(21)24(19)28)31-14-22(27)25-12-15-6-8-30-9-7-15/h2-5,10-11,13,15,26H,6-9,12,14H2,1H3,(H,25,27).
What are the key properties of 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide?
2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 439.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 171340353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).