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

C24H35N3O4 — CID 155307631

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

ethyl 2-(4-benzyl-2-hydroxy-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 155307631) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is ethyl 2-(4-benzyl-2-hydroxy-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-hydroxy-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate
• PubChem CID: 155307631
• Molecular Formula: C24H35N3O4
• Molecular Weight: 429.56 g/mol
• Exact Mass: 429.26
• IUPAC Name: ethyl 2-(4-benzyl-2-hydroxy-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/C24H35N3O4/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/h3-7,19-21,25,28H,2,8-17H2,1H3
• InChIKey: ZMMPFEQSAHWFEG-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 74.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.56
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-benzyl-2-hydroxy-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-hydroxy-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate (CID 155307631) is ethyl 2-(4-benzyl-2-hydroxy-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-hydroxy-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-hydroxy-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-hydroxy-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate?

The InChIKey is ZMMPFEQSAHWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/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/h3-7,19-21,25,28H,2,8-17H2,1H3.

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

ethyl 2-(4-benzyl-2-hydroxy-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(4-benzyl-2-hydroxy-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 155307631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).