3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide

C34H41N3O6S — CID 59998752

About 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide

3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide (PubChem CID 59998752) has the molecular formula C34H41N3O6S and a molecular weight of 619.78 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide.

Molecular Properties

• Compound Name: 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide
• PubChem CID: 59998752
• Molecular Formula: C34H41N3O6S
• Molecular Weight: 619.78 g/mol
• Exact Mass: 619.27
• IUPAC Name: 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide
• SMILES: COc1ccc(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(S(C)(=O)=O)cc2)C3=O)c2ccccc2)cc1OC
• InChI: InChI=1S/C34H41N3O6S/c1-42-30-14-11-27(23-31(30)43-2)32(38)35-29(26-7-5-4-6-8-26)15-19-36-20-16-34(17-21-36)18-22-37(33(34)39)24-25-9-12-28(13-10-25)44(3,40)41/h4-14,23,29H,15-22,24H2,1-3H3,(H,35,38)
• InChIKey: RUENIDZKQJHUKH-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.78
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide?

The IUPAC name of 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide (CID 59998752) is 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide.

What is the SMILES notation for 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide?

The canonical SMILES for 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide is COc1ccc(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(S(C)(=O)=O)cc2)C3=O)c2ccccc2)cc1OC.

What is the InChIKey of 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide?

The InChIKey is RUENIDZKQJHUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O6S/c1-42-30-14-11-27(23-31(30)43-2)32(38)35-29(26-7-5-4-6-8-26)15-19-36-20-16-34(17-21-36)18-22-37(33(34)39)24-25-9-12-28(13-10-25)44(3,40)41/h4-14,23,29H,15-22,24H2,1-3H3,(H,35,38).

What are the key properties of 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide?

3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide has a molecular weight of 619.78 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethoxy-N-[3-[2-[(4-methylsulfonylphenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide is sourced from PubChem (CID 59998752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).