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

C24H30N2O4 — CID 70769286

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

7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 70769286) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 70769286
• Molecular Formula: C24H30N2O4
• Molecular Weight: 410.51 g/mol
• Exact Mass: 410.22
• IUPAC Name: 7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: COc1cccc(CN2CCCC3(CCN(Cc4cccc(O)c4)C3)C2=O)c1OC
• InChI: InChI=1S/C24H30N2O4/c1-29-21-9-4-7-19(22(21)30-2)16-26-12-5-10-24(23(26)28)11-13-25(17-24)15-18-6-3-8-20(27)14-18/h3-4,6-9,14,27H,5,10-13,15-17H2,1-2H3
• InChIKey: ZGHNUVHHEDNXMJ-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 62.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.51
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 70769286) is 7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

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

The canonical SMILES for 7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCCC3(CCN(Cc4cccc(O)c4)C3)C2=O)c1OC.

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

The InChIKey is ZGHNUVHHEDNXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-21-9-4-7-19(22(21)30-2)16-26-12-5-10-24(23(26)28)11-13-25(17-24)15-18-6-3-8-20(27)14-18/h3-4,6-9,14,27H,5,10-13,15-17H2,1-2H3.

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

7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 410.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 70769286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).