ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate

C24H33N3O4 — CID 122539524

About ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate

ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 122539524) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate
• PubChem CID: 122539524
• Molecular Formula: C24H33N3O4
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate
• SMILES: CCOC(=O)N1CCC2(CC(N3CCC4(CC3)OC(=O)NC4Cc3ccccc3)C2)C1
• InChI: InChI=1S/C24H33N3O4/c1-2-30-22(29)27-11-8-23(17-27)15-19(16-23)26-12-9-24(10-13-26)20(25-21(28)31-24)14-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3,(H,25,28)
• InChIKey: BFKUWIITLAHYBJ-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate?

The IUPAC name of ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate (CID 122539524) is ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate.

What is the SMILES notation for ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate?

The canonical SMILES for ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate is CCOC(=O)N1CCC2(CC(N3CCC4(CC3)OC(=O)NC4Cc3ccccc3)C2)C1.

What is the InChIKey of ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate?

The InChIKey is BFKUWIITLAHYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-2-30-22(29)27-11-8-23(17-27)15-19(16-23)26-12-9-24(10-13-26)20(25-21(28)31-24)14-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3,(H,25,28).

What are the key properties of ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate?

ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(4-benzyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 122539524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).