N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

C26H21NO6 — CID 164610853

IUPACN-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N/C=C\c4ccc(O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C26H21NO6/c1-31-20-8-4-18(5-9-20)23-15-33-24-14-21(10-11-22(24)26(23)30)32-16-25(29)27-13-12-17-2-6-19(28)7-3-17/h2-15,28H,16H2,1H3,(H,27,29)/b13-12-
InChIKeyVAQNYFSLRWSRKL-SEYXRHQNSA-N
MW443.46 g/mol
LogP4.34
Rot. Bonds7

About N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide

N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (PubChem CID 164610853) has the molecular formula C26H21NO6 and a molecular weight of 443.46 g/mol. Its IUPAC name is N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.

Molecular Properties

Compound NameN-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
PubChem CID164610853
Molecular FormulaC26H21NO6
Molecular Weight443.46 g/mol
Exact Mass443.14
IUPAC NameN-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
SMILESCOc1ccc(-c2coc3cc(OCC(=O)N/C=C\c4ccc(O)cc4)ccc3c2=O)cc1
InChIInChI=1S/C26H21NO6/c1-31-20-8-4-18(5-9-20)23-15-33-24-14-21(10-11-22(24)26(23)30)32-16-25(29)27-13-12-17-2-6-19(28)7-3-17/h2-15,28H,16H2,1H3,(H,27,29)/b13-12-
InChIKeyVAQNYFSLRWSRKL-SEYXRHQNSA-N
XLogP4.34
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343
N-(1-hydroxy-3-phenylpropan-2-yl)-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 162959375
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
7-hex-5-enoxy-3-(4-hydroxyphenyl)chromen-4-one
CID 10925737
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
N-cyclopropyl-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7641759
N-(1-hydroxy-3-methylbutan-2-yl)-2-(4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 45371498
2-(4-oxo-3-phenylchromen-7-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7641806
ethyl 4-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]benzoate
CID 67279205

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The IUPAC name of N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide (CID 164610853) is N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide.
What is the SMILES notation for N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The canonical SMILES for N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is COc1ccc(-c2coc3cc(OCC(=O)N/C=C\c4ccc(O)cc4)ccc3c2=O)cc1.
What is the InChIKey of N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
The InChIKey is VAQNYFSLRWSRKL-SEYXRHQNSA-N. The full InChI is InChI=1S/C26H21NO6/c1-31-20-8-4-18(5-9-20)23-15-33-24-14-21(10-11-22(24)26(23)30)32-16-25(29)27-13-12-17-2-6-19(28)7-3-17/h2-15,28H,16H2,1H3,(H,27,29)/b13-12-.
What are the key properties of N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide?
N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide has a molecular weight of 443.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide is sourced from PubChem (CID 164610853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).