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

C26H31N3O6 — CID 46140911

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

8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 46140911) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is 8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 46140911
• Molecular Formula: C26H31N3O6
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.22
• IUPAC Name: 8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: Cc1cccc(C(=O)N2C(C(=O)NCC3CCCO3)COC23CCN(C(=O)c2ccco2)CC3)c1
• InChI: InChI=1S/C26H31N3O6/c1-18-5-2-6-19(15-18)24(31)29-21(23(30)27-16-20-7-3-13-33-20)17-35-26(29)9-11-28(12-10-26)25(32)22-8-4-14-34-22/h2,4-6,8,14-15,20-21H,3,7,9-13,16-17H2,1H3,(H,27,30)
• InChIKey: IMIXAAYHDQICDB-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 101.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 46140911) is 8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for 8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1cccc(C(=O)N2C(C(=O)NCC3CCCO3)COC23CCN(C(=O)c2ccco2)CC3)c1.

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

The InChIKey is IMIXAAYHDQICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-18-5-2-6-19(15-18)24(31)29-21(23(30)27-16-20-7-3-13-33-20)17-35-26(29)9-11-28(12-10-26)25(32)22-8-4-14-34-22/h2,4-6,8,14-15,20-21H,3,7,9-13,16-17H2,1H3,(H,27,30).

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

8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(furan-2-carbonyl)-4-(3-methylbenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 46140911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).