6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide

C25H32N2O3 — CID 45176348

About 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45176348) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45176348
• Molecular Formula: C25H32N2O3
• Molecular Weight: 408.54 g/mol
• Exact Mass: 408.24
• IUPAC Name: 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1cc(C)c(CN2CCC3(CC2)CC3C(=O)Nc2ccccc2OC)cc1C
• InChI: InChI=1S/C25H32N2O3/c1-17-14-23(30-4)18(2)13-19(17)16-27-11-9-25(10-12-27)15-20(25)24(28)26-21-7-5-6-8-22(21)29-3/h5-8,13-14,20H,9-12,15-16H2,1-4H3,(H,26,28)
• InChIKey: YIMOOSZBHRFMPD-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.54
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45176348) is 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1cc(C)c(CN2CCC3(CC2)CC3C(=O)Nc2ccccc2OC)cc1C.

What is the InChIKey of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is YIMOOSZBHRFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17-14-23(30-4)18(2)13-19(17)16-27-11-9-25(10-12-27)15-20(25)24(28)26-21-7-5-6-8-22(21)29-3/h5-8,13-14,20H,9-12,15-16H2,1-4H3,(H,26,28).

What are the key properties of 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-methoxy-2,5-dimethylphenyl)methyl]-N-(2-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45176348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).