7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

C23H34N2O4 — CID 45198728

About 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45198728) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45198728
• Molecular Formula: C23H34N2O4
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.25
• IUPAC Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1cccc(CN2CCCC3(CCN(C(=O)CC(C)(C)C)C3)C2=O)c1OC
• InChI: InChI=1S/C23H34N2O4/c1-22(2,3)14-19(26)25-13-11-23(16-25)10-7-12-24(21(23)27)15-17-8-6-9-18(28-4)20(17)29-5/h6,8-9H,7,10-16H2,1-5H3
• InChIKey: SJQFJEUKPIKJRD-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45198728) is 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCCC3(CCN(C(=O)CC(C)(C)C)C3)C2=O)c1OC.

What is the InChIKey of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is SJQFJEUKPIKJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-22(2,3)14-19(26)25-13-11-23(16-25)10-7-12-24(21(23)27)15-17-8-6-9-18(28-4)20(17)29-5/h6,8-9H,7,10-16H2,1-5H3.

What are the key properties of 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one?

7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 402.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45198728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).