8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C24H26FN3O5 — CID 42820796

About 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42820796) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 42820796
• Molecular Formula: C24H26FN3O5
• Molecular Weight: 455.49 g/mol
• Exact Mass: 455.19
• IUPAC Name: 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: O=C(NCc1ccco1)C1COC2(CCN(C(=O)C3CC3)CC2)N1C(=O)c1ccc(F)cc1
• InChI: InChI=1S/C24H26FN3O5/c25-18-7-5-17(6-8-18)23(31)28-20(21(29)26-14-19-2-1-13-32-19)15-33-24(28)9-11-27(12-10-24)22(30)16-3-4-16/h1-2,5-8,13,16,20H,3-4,9-12,14-15H2,(H,26,29)
• InChIKey: TZKIWTQQCZOEBK-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.49
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42820796) is 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1ccco1)C1COC2(CCN(C(=O)C3CC3)CC2)N1C(=O)c1ccc(F)cc1.

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

The InChIKey is TZKIWTQQCZOEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c25-18-7-5-17(6-8-18)23(31)28-20(21(29)26-14-19-2-1-13-32-19)15-33-24(28)9-11-27(12-10-24)22(30)16-3-4-16/h1-2,5-8,13,16,20H,3-4,9-12,14-15H2,(H,26,29).

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

8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropanecarbonyl)-4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).