N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C28H34N4O3 — CID 5000469

About N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 5000469) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 5000469
• Molecular Formula: C28H34N4O3
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.26
• IUPAC Name: N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: Cc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)C2CC(=O)N(c4ccccc4)C2)C3)c(C)c1
• InChI: InChI=1S/C28H34N4O3/c1-20-8-9-24(21(2)16-20)29-27(35)30-13-10-28(11-14-30)12-15-31(19-28)26(34)22-17-25(33)32(18-22)23-6-4-3-5-7-23/h3-9,16,22H,10-15,17-19H2,1-2H3,(H,29,35)
• InChIKey: QFFILVGOIIFWGM-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 5000469) is N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is Cc1ccc(NC(=O)N2CCC3(CC2)CCN(C(=O)C2CC(=O)N(c4ccccc4)C2)C3)c(C)c1.

What is the InChIKey of N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is QFFILVGOIIFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-20-8-9-24(21(2)16-20)29-27(35)30-13-10-28(11-14-30)12-15-31(19-28)26(34)22-17-25(33)32(18-22)23-6-4-3-5-7-23/h3-9,16,22H,10-15,17-19H2,1-2H3,(H,29,35).

What are the key properties of N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-2-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 5000469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).