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

C22H27N3O6 — CID 42821086

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

4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42821086) has the molecular formula C22H27N3O6 and a molecular weight of 429.47 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 42821086
• Molecular Formula: C22H27N3O6
• Molecular Weight: 429.47 g/mol
• Exact Mass: 429.19
• IUPAC Name: 4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: CC(C)C(=O)N1CCC2(CC1)OCC(C(=O)NCc1ccco1)N2C(=O)c1ccco1
• InChI: InChI=1S/C22H27N3O6/c1-15(2)20(27)24-9-7-22(8-10-24)25(21(28)18-6-4-12-30-18)17(14-31-22)19(26)23-13-16-5-3-11-29-16/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3,(H,23,26)
• InChIKey: HPUYKIWUERELGD-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 105.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42821086) is 4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for 4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CC(C)C(=O)N1CCC2(CC1)OCC(C(=O)NCc1ccco1)N2C(=O)c1ccco1.

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

The InChIKey is HPUYKIWUERELGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6/c1-15(2)20(27)24-9-7-22(8-10-24)25(21(28)18-6-4-12-30-18)17(14-31-22)19(26)23-13-16-5-3-11-29-16/h3-6,11-12,15,17H,7-10,13-14H2,1-2H3,(H,23,26).

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

4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-carbonyl)-N-(furan-2-ylmethyl)-8-(2-methylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42821086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).