3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide

C23H26N4O3 — CID 134079593

About 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide

3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (PubChem CID 134079593) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
• PubChem CID: 134079593
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
• SMILES: Cc1ccc(CNC(=O)C2=NOC3(CCCN(C(=O)Nc4ccccc4)C3)C2)cc1
• InChI: InChI=1S/C23H26N4O3/c1-17-8-10-18(11-9-17)15-24-21(28)20-14-23(30-26-20)12-5-13-27(16-23)22(29)25-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,28)(H,25,29)
• InChIKey: AVNUATQTYCVLMK-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 83.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

The IUPAC name of 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide (CID 134079593) is 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide.

What is the SMILES notation for 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

The canonical SMILES for 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is Cc1ccc(CNC(=O)C2=NOC3(CCCN(C(=O)Nc4ccccc4)C3)C2)cc1.

What is the InChIKey of 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

The InChIKey is AVNUATQTYCVLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-8-10-18(11-9-17)15-24-21(28)20-14-23(30-26-20)12-5-13-27(16-23)22(29)25-19-6-3-2-4-7-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,28)(H,25,29).

What are the key properties of 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide?

3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[(4-methylphenyl)methyl]-9-N-phenyl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide is sourced from PubChem (CID 134079593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).