methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

C23H32N2O5 — CID 71687262

About methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate

methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (PubChem CID 71687262) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

Molecular Properties

• Compound Name: methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
• PubChem CID: 71687262
• Molecular Formula: C23H32N2O5
• Molecular Weight: 416.52 g/mol
• Exact Mass: 416.23
• IUPAC Name: methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
• SMILES: C=CCON1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(C)c(OC)cc1C)CC2
• InChI: InChI=1S/C23H32N2O5/c1-6-11-30-25-21(26)14-19(22(27)29-5)23(25)7-9-24(10-8-23)15-18-12-17(3)20(28-4)13-16(18)2/h6,12-13,19H,1,7-11,14-15H2,2-5H3
• InChIKey: FOIGYFGQOFQPIY-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 68.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.52
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

The IUPAC name of methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate (CID 71687262) is methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate.

What is the SMILES notation for methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

The canonical SMILES for methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is C=CCON1C(=O)CC(C(=O)OC)C12CCN(Cc1cc(C)c(OC)cc1C)CC2.

What is the InChIKey of methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

The InChIKey is FOIGYFGQOFQPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-6-11-30-25-21(26)14-19(22(27)29-5)23(25)7-9-24(10-8-23)15-18-12-17(3)20(28-4)13-16(18)2/h6,12-13,19H,1,7-11,14-15H2,2-5H3.

What are the key properties of methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate?

methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 8-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-oxo-1-prop-2-enoxy-1,8-diazaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 71687262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).