8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

C22H25N3O5 — CID 91259896

About 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide

8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (PubChem CID 91259896) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

Molecular Properties

• Compound Name: 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
• PubChem CID: 91259896
• Molecular Formula: C22H25N3O5
• Molecular Weight: 411.46 g/mol
• Exact Mass: 411.18
• IUPAC Name: 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide
• SMILES: COc1ccc(C(=O)N2CCC3(C=C(C(=O)NCc4ccc(C)o4)NO3)CC2)cc1
• InChI: InChI=1S/C22H25N3O5/c1-15-3-6-18(29-15)14-23-20(26)19-13-22(30-24-19)9-11-25(12-10-22)21(27)16-4-7-17(28-2)8-5-16/h3-8,13,24H,9-12,14H2,1-2H3,(H,23,26)
• InChIKey: KUZSRLGWEIJKKE-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 93.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.46
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

The IUPAC name of 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide (CID 91259896) is 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide.

What is the SMILES notation for 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

The canonical SMILES for 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is COc1ccc(C(=O)N2CCC3(C=C(C(=O)NCc4ccc(C)o4)NO3)CC2)cc1.

What is the InChIKey of 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

The InChIKey is KUZSRLGWEIJKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-15-3-6-18(29-15)14-23-20(26)19-13-22(30-24-19)9-11-25(12-10-22)21(27)16-4-7-17(28-2)8-5-16/h3-8,13,24H,9-12,14H2,1-2H3,(H,23,26).

What are the key properties of 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide?

8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-methoxybenzoyl)-N-[(5-methylfuran-2-yl)methyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-3-carboxamide is sourced from PubChem (CID 91259896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).