N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide

C27H34N4O3 — CID 42772708

About N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide

N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 42772708) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
• PubChem CID: 42772708
• Molecular Formula: C27H34N4O3
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.26
• IUPAC Name: N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
• SMILES: CCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)Nc1cccc(C)c1)CN2c1ccccc1
• InChI: InChI=1S/C27H34N4O3/c1-3-4-13-25(33)29-16-14-27(15-17-29)26(34)30(20-31(27)23-11-6-5-7-12-23)19-24(32)28-22-10-8-9-21(2)18-22/h5-12,18H,3-4,13-17,19-20H2,1-2H3,(H,28,32)
• InChIKey: BQSBDKXOIVKAGY-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (CID 42772708) is N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is CCCCC(=O)N1CCC2(CC1)C(=O)N(CC(=O)Nc1cccc(C)c1)CN2c1ccccc1.

What is the InChIKey of N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is BQSBDKXOIVKAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-4-13-25(33)29-16-14-27(15-17-29)26(34)30(20-31(27)23-11-6-5-7-12-23)19-24(32)28-22-10-8-9-21(2)18-22/h5-12,18H,3-4,13-17,19-20H2,1-2H3,(H,28,32).

What are the key properties of N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?

N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 462.59 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)-2-(4-oxo-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 42772708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).