2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide

C24H28N2O4 — CID 154680015

About 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide

2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide (PubChem CID 154680015) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide
• PubChem CID: 154680015
• Molecular Formula: C24H28N2O4
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.20
• IUPAC Name: 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide
• SMILES: CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)C(=O)NC)CC3)CC2=O)c(C)c1
• InChI: InChI=1S/C24H28N2O4/c1-5-6-17-11-15(2)20(16(3)12-17)21-18(27)13-24(14-19(21)28)7-9-26(10-8-24)23(30)22(29)25-4/h11-12,21H,7-10,13-14H2,1-4H3,(H,25,29)
• InChIKey: XDWYWOHCPPXVTG-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 83.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide?

The IUPAC name of 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide (CID 154680015) is 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide.

What is the SMILES notation for 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide?

The canonical SMILES for 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide is CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)C(=O)NC)CC3)CC2=O)c(C)c1.

What is the InChIKey of 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide?

The InChIKey is XDWYWOHCPPXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-5-6-17-11-15(2)20(16(3)12-17)21-18(27)13-24(14-19(21)28)7-9-26(10-8-24)23(30)22(29)25-4/h11-12,21H,7-10,13-14H2,1-4H3,(H,25,29).

What are the key properties of 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide?

2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide has a molecular weight of 408.50 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-(2,6-dimethyl-4-prop-1-ynylphenyl)-8,10-dioxo-3-azaspiro[5.5]undecan-3-yl]-N-methyl-2-oxoacetamide is sourced from PubChem (CID 154680015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).