N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide

C35H24N2O6 — CID 46303348

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C35H24N2O6/c1-40-25-18-16-24(17-19-25)33-34(31(39)26-14-8-9-15-28(26)42-33)41-21-29(38)37-35-27(20-36)30(22-10-4-2-5-11-22)32(43-35)23-12-6-3-7-13-23/h2-19H,21H2,1H3,(H,37,38)
InChIKeyGALNUESJHQVDKU-UHFFFAOYSA-N
MW568.59 g/mol
LogP7.28
Rot. Bonds8

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide (PubChem CID 46303348) has the molecular formula C35H24N2O6 and a molecular weight of 568.59 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
PubChem CID46303348
Molecular FormulaC35H24N2O6
Molecular Weight568.59 g/mol
Exact Mass568.16
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide
SMILESCOc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C35H24N2O6/c1-40-25-18-16-24(17-19-25)33-34(31(39)26-14-8-9-15-28(26)42-33)41-21-29(38)37-35-27(20-36)30(22-10-4-2-5-11-22)32(43-35)23-12-6-3-7-13-23/h2-19H,21H2,1H3,(H,37,38)
InChIKeyGALNUESJHQVDKU-UHFFFAOYSA-N
XLogP7.28
TPSA114.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.59
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 23907590
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 41114802
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 23904915
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)propanoate
CID 23827034
2-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide
CID 155537197
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide (CID 46303348) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide is COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide?
The InChIKey is GALNUESJHQVDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O6/c1-40-25-18-16-24(17-19-25)33-34(31(39)26-14-8-9-15-28(26)42-33)41-21-29(38)37-35-27(20-36)30(22-10-4-2-5-11-22)32(43-35)23-12-6-3-7-13-23/h2-19H,21H2,1H3,(H,37,38).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 568.59 g/mol, XLogP of 7.28, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 46303348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).