2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C24H31N3O3 — CID 91924948

About 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924948) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• PubChem CID: 91924948
• Molecular Formula: C24H31N3O3
• Molecular Weight: 409.53 g/mol
• Exact Mass: 409.24
• IUPAC Name: 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• SMILES: CCOc1ccc(CN2CC(C(=O)NCc3ccncc3)C3(CCOCC3)C2)cc1
• InChI: InChI=1S/C24H31N3O3/c1-2-30-21-5-3-20(4-6-21)16-27-17-22(24(18-27)9-13-29-14-10-24)23(28)26-15-19-7-11-25-12-8-19/h3-8,11-12,22H,2,9-10,13-18H2,1H3,(H,26,28)
• InChIKey: HILXHYKLCGDOAP-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 63.69 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	409.53
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924948) is 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is CCOc1ccc(CN2CC(C(=O)NCc3ccncc3)C3(CCOCC3)C2)cc1.

What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The InChIKey is HILXHYKLCGDOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-2-30-21-5-3-20(4-6-21)16-27-17-22(24(18-27)9-13-29-14-10-24)23(28)26-15-19-7-11-25-12-8-19/h3-8,11-12,22H,2,9-10,13-18H2,1H3,(H,26,28).

What are the key properties of 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).