N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide

C27H22N2O3 — CID 2307658

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C27H22N2O3/c1-18-10-9-11-19(2)25(18)31-17-23(30)29-27-22(16-28)24(20-12-5-3-6-13-20)26(32-27)21-14-7-4-8-15-21/h3-15H,17H2,1-2H3,(H,29,30)
InChIKeyHOXNBDFGMQBRMK-UHFFFAOYSA-N
MW422.48 g/mol
LogP6.12
Rot. Bonds6

About N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 2307658) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID2307658
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C27H22N2O3/c1-18-10-9-11-19(2)25(18)31-17-23(30)29-27-22(16-28)24(20-12-5-3-6-13-20)26(32-27)21-14-7-4-8-15-21/h3-15H,17H2,1-2H3,(H,29,30)
InChIKeyHOXNBDFGMQBRMK-UHFFFAOYSA-N
XLogP6.12
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 56.12
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-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide (CID 2307658) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is HOXNBDFGMQBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c1-18-10-9-11-19(2)25(18)31-17-23(30)29-27-22(16-28)24(20-12-5-3-6-13-20)26(32-27)21-14-7-4-8-15-21/h3-15H,17H2,1-2H3,(H,29,30).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 422.48 g/mol, XLogP of 6.12, 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-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 2307658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).