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

C26H20N2O3 — CID 1042823

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C26H20N2O3/c1-18-12-14-21(15-13-18)30-17-23(29)28-26-22(16-27)24(19-8-4-2-5-9-19)25(31-26)20-10-6-3-7-11-20/h2-15H,17H2,1H3,(H,28,29)
InChIKeyNRBSTIBNQIQQSP-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.81
Rot. Bonds6

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

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 1042823) has the molecular formula C26H20N2O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide
PubChem CID1042823
Molecular FormulaC26H20N2O3
Molecular Weight408.46 g/mol
Exact Mass408.15
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C26H20N2O3/c1-18-12-14-21(15-13-18)30-17-23(29)28-26-22(16-27)24(19-8-4-2-5-9-19)25(31-26)20-10-6-3-7-11-20/h2-15H,17H2,1H3,(H,28,29)
InChIKeyNRBSTIBNQIQQSP-UHFFFAOYSA-N
XLogP5.81
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide (CID 1042823) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is NRBSTIBNQIQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O3/c1-18-12-14-21(15-13-18)30-17-23(29)28-26-22(16-27)24(19-8-4-2-5-9-19)25(31-26)20-10-6-3-7-11-20/h2-15H,17H2,1H3,(H,28,29).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 408.46 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1042823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).