[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C21H23N3O6 — CID 7239334

About [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7239334) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
• PubChem CID: 7239334
• Molecular Formula: C21H23N3O6
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.16
• IUPAC Name: [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
• SMILES: Cc1c(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)oc2ccccc12
• InChI: InChI=1S/C21H23N3O6/c1-12-7-9-21(10-8-12)19(27)24(20(28)22-21)23-16(25)11-29-18(26)17-13(2)14-5-3-4-6-15(14)30-17/h3-6,12H,7-11H2,1-2H3,(H,22,28)(H,23,25)
• InChIKey: IOBFSIIGUYOHHF-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 117.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?

The IUPAC name of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 7239334) is [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

What is the SMILES notation for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?

The canonical SMILES for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1c(C(=O)OCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)oc2ccccc12.

What is the InChIKey of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?

The InChIKey is IOBFSIIGUYOHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-12-7-9-21(10-8-12)19(27)24(20(28)22-21)23-16(25)11-29-18(26)17-13(2)14-5-3-4-6-15(14)30-17/h3-6,12H,7-11H2,1-2H3,(H,22,28)(H,23,25).

What are the key properties of [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 413.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7239334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).