2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide

C28H21NO5 — CID 155537197

IUPAC2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(-c2c(OCC(=O)Nc3cccc4ccccc34)oc3ccccc3c2=O)cc1
InChIInChI=1S/C28H21NO5/c1-32-20-15-13-19(14-16-20)26-27(31)22-10-4-5-12-24(22)34-28(26)33-17-25(30)29-23-11-6-8-18-7-2-3-9-21(18)23/h2-16H,17H2,1H3,(H,29,30)
InChIKeySXOSJLKWNDDRLF-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.64
Rot. Bonds6

About 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide

2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide (PubChem CID 155537197) has the molecular formula C28H21NO5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide
PubChem CID155537197
Molecular FormulaC28H21NO5
Molecular Weight451.48 g/mol
Exact Mass451.14
IUPAC Name2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(-c2c(OCC(=O)Nc3cccc4ccccc34)oc3ccccc3c2=O)cc1
InChIInChI=1S/C28H21NO5/c1-32-20-15-13-19(14-16-20)26-27(31)22-10-4-5-12-24(22)34-28(26)33-17-25(30)29-23-11-6-8-18-7-2-3-9-21(18)23/h2-16H,17H2,1H3,(H,29,30)
InChIKeySXOSJLKWNDDRLF-UHFFFAOYSA-N
XLogP5.64
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(4-methoxyphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 17490110
4-methoxy-N-(3-naphthalen-1-yl-4-oxochromen-2-yl)benzamide
CID 4971299
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 46303348
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147366
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548083
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
CID 7678084
2-(2-methoxy-4-methylphenoxy)-N-naphthalen-1-ylacetamide
CID 2627702
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-2-naphthalen-1-yloxyacetamide
CID 1496876
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
2-(2,3-dimethylphenoxy)-N-naphthalen-1-ylacetamide
CID 720683

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide (CID 155537197) is 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide is COc1ccc(-c2c(OCC(=O)Nc3cccc4ccccc34)oc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide?
The InChIKey is SXOSJLKWNDDRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO5/c1-32-20-15-13-19(14-16-20)26-27(31)22-10-4-5-12-24(22)34-28(26)33-17-25(30)29-23-11-6-8-18-7-2-3-9-21(18)23/h2-16H,17H2,1H3,(H,29,30).
What are the key properties of 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide?
2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide has a molecular weight of 451.48 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 155537197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).