9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide

C25H23N3O3 — CID 162878570

About 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide

9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide (PubChem CID 162878570) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide.

Molecular Properties

• Compound Name: 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide
• PubChem CID: 162878570
• Molecular Formula: C25H23N3O3
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.17
• IUPAC Name: 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide
• SMILES: O=C1C2CC(CN2C(=O)Nc2ccccc2)Oc2ccccc2N1Cc1ccccc1
• InChI: InChI=1S/C25H23N3O3/c29-24-22-15-20(17-28(22)25(30)26-19-11-5-2-6-12-19)31-23-14-8-7-13-21(23)27(24)16-18-9-3-1-4-10-18/h1-14,20,22H,15-17H2,(H,26,30)
• InChIKey: DRUZPQUNHZKZOL-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide?

The IUPAC name of 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide (CID 162878570) is 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide.

What is the SMILES notation for 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide?

The canonical SMILES for 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide is O=C1C2CC(CN2C(=O)Nc2ccccc2)Oc2ccccc2N1Cc1ccccc1.

What is the InChIKey of 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide?

The InChIKey is DRUZPQUNHZKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24-22-15-20(17-28(22)25(30)26-19-11-5-2-6-12-19)31-23-14-8-7-13-21(23)27(24)16-18-9-3-1-4-10-18/h1-14,20,22H,15-17H2,(H,26,30).

What are the key properties of 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide?

9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzyl-10-oxo-N-phenyl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-triene-12-carboxamide is sourced from PubChem (CID 162878570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).