4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C30H32N4O4 — CID 42820960

About 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42820960) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 42820960
• Molecular Formula: C30H32N4O4
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.24
• IUPAC Name: 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: CCc1ccc(C(=O)N2CCC3(CC2)OCC(C(=O)NCc2ccccn2)N3C(=O)c2ccccc2)cc1
• InChI: InChI=1S/C30H32N4O4/c1-2-22-11-13-24(14-12-22)28(36)33-18-15-30(16-19-33)34(29(37)23-8-4-3-5-9-23)26(21-38-30)27(35)32-20-25-10-6-7-17-31-25/h3-14,17,26H,2,15-16,18-21H2,1H3,(H,32,35)
• InChIKey: FMNUAUFUUKFMFQ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The IUPAC name of 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42820960) is 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CCc1ccc(C(=O)N2CCC3(CC2)OCC(C(=O)NCc2ccccn2)N3C(=O)c2ccccc2)cc1.

What is the InChIKey of 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The InChIKey is FMNUAUFUUKFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-2-22-11-13-24(14-12-22)28(36)33-18-15-30(16-19-33)34(29(37)23-8-4-3-5-9-23)26(21-38-30)27(35)32-20-25-10-6-7-17-31-25/h3-14,17,26H,2,15-16,18-21H2,1H3,(H,32,35).

What are the key properties of 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzoyl-8-(4-ethylbenzoyl)-N-(pyridin-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).