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

C23H28N4O3 — CID 21428878

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

3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (PubChem CID 21428878) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• PubChem CID: 21428878
• Molecular Formula: C23H28N4O3
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.22
• IUPAC Name: 3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
• SMILES: COc1cccc(C(=O)NCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)c1
• InChI: InChI=1S/C23H28N4O3/c1-30-20-9-5-6-18(16-20)21(28)24-12-15-26-13-10-23(11-14-26)22(29)25-17-27(23)19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H,24,28)(H,25,29)
• InChIKey: VTXUDUYVBVUAKX-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide (CID 21428878) is 3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide.

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

The canonical SMILES for 3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is COc1cccc(C(=O)NCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)c1.

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

The InChIKey is VTXUDUYVBVUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-30-20-9-5-6-18(16-20)21(28)24-12-15-26-13-10-23(11-14-26)22(29)25-17-27(23)19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H,24,28)(H,25,29).

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

3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide has a molecular weight of 408.50 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide is sourced from PubChem (CID 21428878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).