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

C28H28FN3O5 — CID 71956209

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

4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 71956209) has the molecular formula C28H28FN3O5 and a molecular weight of 505.55 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 71956209
• Molecular Formula: C28H28FN3O5
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.20
• IUPAC Name: 4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: Cc1ccccc1C(=O)N1CCC2(CC1)OCC(C(=O)NCc1ccco1)N2C(=O)c1cccc(F)c1
• InChI: InChI=1S/C28H28FN3O5/c1-19-6-2-3-10-23(19)27(35)31-13-11-28(12-14-31)32(26(34)20-7-4-8-21(29)16-20)24(18-37-28)25(33)30-17-22-9-5-15-36-22/h2-10,15-16,24H,11-14,17-18H2,1H3,(H,30,33)
• InChIKey: MWAASDFERQWVKN-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 71956209) is 4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for 4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccccc1C(=O)N1CCC2(CC1)OCC(C(=O)NCc1ccco1)N2C(=O)c1cccc(F)c1.

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

The InChIKey is MWAASDFERQWVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O5/c1-19-6-2-3-10-23(19)27(35)31-13-11-28(12-14-31)32(26(34)20-7-4-8-21(29)16-20)24(18-37-28)25(33)30-17-22-9-5-15-36-22/h2-10,15-16,24H,11-14,17-18H2,1H3,(H,30,33).

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

4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-fluorobenzoyl)-N-(furan-2-ylmethyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).