9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

C22H24N2O4 — CID 162792685

About 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one

9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (PubChem CID 162792685) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.

Molecular Properties

• Compound Name: 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
• PubChem CID: 162792685
• Molecular Formula: C22H24N2O4
• Molecular Weight: 380.44 g/mol
• Exact Mass: 380.17
• IUPAC Name: 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
• SMILES: COc1ccc(CC(=O)N2CCC3COC(=O)N3c3cc(C)ccc3C2)cc1
• InChI: InChI=1S/C22H24N2O4/c1-15-3-6-17-13-23(21(25)12-16-4-7-19(27-2)8-5-16)10-9-18-14-28-22(26)24(18)20(17)11-15/h3-8,11,18H,9-10,12-14H2,1-2H3
• InChIKey: ZUXZQKUHTOPWDV-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.44
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

The IUPAC name of 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one (CID 162792685) is 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one.

What is the SMILES notation for 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

The canonical SMILES for 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is COc1ccc(CC(=O)N2CCC3COC(=O)N3c3cc(C)ccc3C2)cc1.

What is the InChIKey of 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

The InChIKey is ZUXZQKUHTOPWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15-3-6-17-13-23(21(25)12-16-4-7-19(27-2)8-5-16)10-9-18-14-28-22(26)24(18)20(17)11-15/h3-8,11,18H,9-10,12-14H2,1-2H3.

What are the key properties of 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one?

9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one has a molecular weight of 380.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4-methoxyphenyl)acetyl]-14-methyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one is sourced from PubChem (CID 162792685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).