N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide

C20H28N4O2 — CID 128993076

About N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide

N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide (PubChem CID 128993076) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide
• PubChem CID: 128993076
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide
• SMILES: CCn1ccnc1CN(C(=O)c1oc(C)cc1C)C1CC12CCNCC2
• InChI: InChI=1S/C20H28N4O2/c1-4-23-10-9-22-17(23)13-24(16-12-20(16)5-7-21-8-6-20)19(25)18-14(2)11-15(3)26-18/h9-11,16,21H,4-8,12-13H2,1-3H3
• InChIKey: GRIANQONVLJXAE-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide?

The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide (CID 128993076) is N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide.

What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide?

The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide is CCn1ccnc1CN(C(=O)c1oc(C)cc1C)C1CC12CCNCC2.

What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide?

The InChIKey is GRIANQONVLJXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-23-10-9-22-17(23)13-24(16-12-20(16)5-7-21-8-6-20)19(25)18-14(2)11-15(3)26-18/h9-11,16,21H,4-8,12-13H2,1-3H3.

What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide?

N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-azaspiro[2.5]octan-2-yl)-N-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 128993076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).