3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

C24H24N4O5 — CID 85006826

About 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (PubChem CID 85006826) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

Molecular Properties

• Compound Name: 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• PubChem CID: 85006826
• Molecular Formula: C24H24N4O5
• Molecular Weight: 448.48 g/mol
• Exact Mass: 448.17
• IUPAC Name: 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
• SMILES: COc1ccc(NC(=O)N2CC3CC(C2)c2c(NC(=O)c4ccco4)ccc(=O)n2C3)cc1
• InChI: InChI=1S/C24H24N4O5/c1-32-18-6-4-17(5-7-18)25-24(31)27-12-15-11-16(14-27)22-19(8-9-21(29)28(22)13-15)26-23(30)20-3-2-10-33-20/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,26,30)
• InChIKey: HVTOFKUOEVSDKH-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 105.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.48
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The IUPAC name of 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide (CID 85006826) is 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.

What is the SMILES notation for 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The canonical SMILES for 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is COc1ccc(NC(=O)N2CC3CC(C2)c2c(NC(=O)c4ccco4)ccc(=O)n2C3)cc1.

What is the InChIKey of 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

The InChIKey is HVTOFKUOEVSDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-32-18-6-4-17(5-7-18)25-24(31)27-12-15-11-16(14-27)22-19(8-9-21(29)28(22)13-15)26-23(30)20-3-2-10-33-20/h2-10,15-16H,11-14H2,1H3,(H,25,31)(H,26,30).

What are the key properties of 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide?

3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(furan-2-carbonylamino)-N-(4-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide is sourced from PubChem (CID 85006826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).