2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C25H31N3O4 — CID 91912752

About 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912752) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• PubChem CID: 91912752
• Molecular Formula: C25H31N3O4
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.23
• IUPAC Name: 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• SMILES: Cc1ccc(OCC(=O)N2CC(C(=O)NCCc3ccncc3)C3(CCOCC3)C2)cc1
• InChI: InChI=1S/C25H31N3O4/c1-19-2-4-21(5-3-19)32-17-23(29)28-16-22(25(18-28)9-14-31-15-10-25)24(30)27-13-8-20-6-11-26-12-7-20/h2-7,11-12,22H,8-10,13-18H2,1H3,(H,27,30)
• InChIKey: OGHUNOBVLIJTRC-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The IUPAC name of 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912752) is 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

What is the SMILES notation for 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The canonical SMILES for 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(OCC(=O)N2CC(C(=O)NCCc3ccncc3)C3(CCOCC3)C2)cc1.

What is the InChIKey of 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The InChIKey is OGHUNOBVLIJTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-19-2-4-21(5-3-19)32-17-23(29)28-16-22(25(18-28)9-14-31-15-10-25)24(30)27-13-8-20-6-11-26-12-7-20/h2-7,11-12,22H,8-10,13-18H2,1H3,(H,27,30).

What are the key properties of 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).