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

C22H20N2O2 — CID 782403

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C22H20N2O2/c1-22(2,3)21(25)24-20-17(14-23)18(15-10-6-4-7-11-15)19(26-20)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,24,25)
InChIKeyVBHAJILJMPFROG-UHFFFAOYSA-N
MW344.41 g/mol
LogP5.47
Rot. Bonds3

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

N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide (PubChem CID 782403) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide
PubChem CID782403
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
InChIInChI=1S/C22H20N2O2/c1-22(2,3)21(25)24-20-17(14-23)18(15-10-6-4-7-11-15)19(26-20)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,24,25)
InChIKeyVBHAJILJMPFROG-UHFFFAOYSA-N
XLogP5.47
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide (CID 782403) is N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide?
The InChIKey is VBHAJILJMPFROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-22(2,3)21(25)24-20-17(14-23)18(15-10-6-4-7-11-15)19(26-20)16-12-8-5-9-13-16/h4-13H,1-3H3,(H,24,25).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide has a molecular weight of 344.41 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 782403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).