2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

C23H28N4O2 — CID 21428990

About 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide

2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (PubChem CID 21428990) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• PubChem CID: 21428990
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• SMILES: Cc1ccccc1C(=O)NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
• InChI: InChI=1S/C23H28N4O2/c1-18-7-5-6-10-20(18)21(28)24-13-16-26-14-11-23(12-15-26)22(29)25-17-27(23)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,24,28)(H,25,29)
• InChIKey: ZCNWUBFHEOGTOH-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 64.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (CID 21428990) is 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is Cc1ccccc1C(=O)NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1.

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

The InChIKey is ZCNWUBFHEOGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-7-5-6-10-20(18)21(28)24-13-16-26-14-11-23(12-15-26)22(29)25-17-27(23)19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,24,28)(H,25,29).

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

2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is sourced from PubChem (CID 21428990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).