N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide

C24H28N4O2 — CID 55864072

About N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide (PubChem CID 55864072) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide.

Molecular Properties

• Compound Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide
• PubChem CID: 55864072
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide
• SMILES: CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1cc(C)cc(C)c1
• InChI: InChI=1S/C24H28N4O2/c1-6-27(20-11-16(2)10-17(3)12-20)15-23(29)26-24-22(13-25)18(4)19(5)28(24)14-21-8-7-9-30-21/h7-12H,6,14-15H2,1-5H3,(H,26,29)
• InChIKey: OXHAPQWUVMZSRG-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 74.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide?

The IUPAC name of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide (CID 55864072) is N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide.

What is the SMILES notation for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide?

The canonical SMILES for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide is CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1cc(C)cc(C)c1.

What is the InChIKey of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide?

The InChIKey is OXHAPQWUVMZSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-6-27(20-11-16(2)10-17(3)12-20)15-23(29)26-24-22(13-25)18(4)19(5)28(24)14-21-8-7-9-30-21/h7-12H,6,14-15H2,1-5H3,(H,26,29).

What are the key properties of N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide?

N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(N-ethyl-3,5-dimethylanilino)acetamide is sourced from PubChem (CID 55864072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).