(1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C25H23N3O4 — CID 133269212

About (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

(1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 133269212) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 133269212
• Molecular Formula: C25H23N3O4
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.17
• IUPAC Name: (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: COc1cc2c(cc1NC(=O)N1C[C@H]3C[C@H](C1)c1cccc(=O)n1C3)oc1ccccc12
• InChI: InChI=1S/C25H23N3O4/c1-31-23-10-18-17-5-2-3-7-21(17)32-22(18)11-19(23)26-25(30)27-12-15-9-16(14-27)20-6-4-8-24(29)28(20)13-15/h2-8,10-11,15-16H,9,12-14H2,1H3,(H,26,30)/t15-,16-/m1/s1
• InChIKey: IIGVZMGXKYPKQJ-HZPDHXFCSA-N
• XLogP: 4.41
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 133269212) is (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is COc1cc2c(cc1NC(=O)N1C[C@H]3C[C@H](C1)c1cccc(=O)n1C3)oc1ccccc12.

What is the InChIKey of (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is IIGVZMGXKYPKQJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-31-23-10-18-17-5-2-3-7-21(17)32-22(18)11-19(23)26-25(30)27-12-15-9-16(14-27)20-6-4-8-24(29)28(20)13-15/h2-8,10-11,15-16H,9,12-14H2,1H3,(H,26,30)/t15-,16-/m1/s1.

What are the key properties of (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

(1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9S)-N-(2-methoxydibenzofuran-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 133269212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).