6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

C25H32N2O4 — CID 45168104

About 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45168104) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45168104
• Molecular Formula: C25H32N2O4
• Molecular Weight: 424.54 g/mol
• Exact Mass: 424.24
• IUPAC Name: 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1cccc(CCNC(=O)C2CC23CCN(Cc2cc(OC)ccc2O)CC3)c1
• InChI: InChI=1S/C25H32N2O4/c1-30-20-5-3-4-18(14-20)8-11-26-24(29)22-16-25(22)9-12-27(13-10-25)17-19-15-21(31-2)6-7-23(19)28/h3-7,14-15,22,28H,8-13,16-17H2,1-2H3,(H,26,29)
• InChIKey: MQFBOHCZLLBXQS-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.54
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 45168104) is 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is COc1cccc(CCNC(=O)C2CC23CCN(Cc2cc(OC)ccc2O)CC3)c1.

What is the InChIKey of 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is MQFBOHCZLLBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-30-20-5-3-4-18(14-20)8-11-26-24(29)22-16-25(22)9-12-27(13-10-25)17-19-15-21(31-2)6-7-23(19)28/h3-7,14-15,22,28H,8-13,16-17H2,1-2H3,(H,26,29).

What are the key properties of 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?

6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45168104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).