6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide

C24H28ClN3O3 — CID 45202277

About 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45202277) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45202277
• Molecular Formula: C24H28ClN3O3
• Molecular Weight: 441.96 g/mol
• Exact Mass: 441.18
• IUPAC Name: 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: COc1ccc(NC(=O)C2CC23CCN(Cc2ccc(NC(C)=O)cc2)CC3)cc1Cl
• InChI: InChI=1S/C24H28ClN3O3/c1-16(29)26-18-5-3-17(4-6-18)15-28-11-9-24(10-12-28)14-20(24)23(30)27-19-7-8-22(31-2)21(25)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,26,29)(H,27,30)
• InChIKey: UBSRRCROSQDJKV-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.96
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45202277) is 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide is COc1ccc(NC(=O)C2CC23CCN(Cc2ccc(NC(C)=O)cc2)CC3)cc1Cl.

What is the InChIKey of 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is UBSRRCROSQDJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-16(29)26-18-5-3-17(4-6-18)15-28-11-9-24(10-12-28)14-20(24)23(30)27-19-7-8-22(31-2)21(25)13-19/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,26,29)(H,27,30).

What are the key properties of 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide?

6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-acetamidophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45202277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).