N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide

C26H20N2O4 — CID 1306035

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C26H20N2O4/c1-30-21-14-8-9-15-22(21)31-17-23(29)28-26-20(16-27)24(18-10-4-2-5-11-18)25(32-26)19-12-6-3-7-13-19/h2-15H,17H2,1H3,(H,28,29)
InChIKeyITLHIDIRQNKPHC-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.51
Rot. Bonds7

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 1306035) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide
PubChem CID1306035
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C26H20N2O4/c1-30-21-14-8-9-15-22(21)31-17-23(29)28-26-20(16-27)24(18-10-4-2-5-11-18)25(32-26)19-12-6-3-7-13-19/h2-15H,17H2,1H3,(H,28,29)
InChIKeyITLHIDIRQNKPHC-UHFFFAOYSA-N
XLogP5.51
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide (CID 1306035) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is ITLHIDIRQNKPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-30-21-14-8-9-15-22(21)31-17-23(29)28-26-20(16-27)24(18-10-4-2-5-11-18)25(32-26)19-12-6-3-7-13-19/h2-15H,17H2,1H3,(H,28,29).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 424.46 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 1306035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).