N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide

C43H55N7O6 — CID 159930669

About N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide

N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide (PubChem CID 159930669) has the molecular formula C43H55N7O6 and a molecular weight of 765.96 g/mol. Its IUPAC name is N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide.

Molecular Properties

• Compound Name: N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide
• PubChem CID: 159930669
• Molecular Formula: C43H55N7O6
• Molecular Weight: 765.96 g/mol
• Exact Mass: 765.42
• IUPAC Name: N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide
• SMILES: CCN(CC)CCCCC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4c(c3)NC(=O)C4)cc2)cc(C(=O)CCCCN(CC)CC)c1
• InChI: InChI=1S/C43H55N7O6/c1-6-49(7-2)22-12-10-14-38(52)32-24-33(39(53)15-11-13-23-50(8-3)9-4)26-36(25-32)45-42(55)30-16-19-34(20-17-30)47-48-41(29(5)51)43(56)44-35-21-18-31-27-40(54)46-37(31)28-35/h16-21,24-26,28,41H,6-15,22-23,27H2,1-5H3,(H,44,56)(H,45,55)(H,46,54)/b48-47+
• InChIKey: WYNQQCYLLOBYBJ-QJGAVIKSSA-N
• XLogP: 7.50
• TPSA: 169.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.96
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide?

The IUPAC name of N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide (CID 159930669) is N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide.

What is the SMILES notation for N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide?

The canonical SMILES for N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide is CCN(CC)CCCCC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4c(c3)NC(=O)C4)cc2)cc(C(=O)CCCCN(CC)CC)c1.

What is the InChIKey of N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide?

The InChIKey is WYNQQCYLLOBYBJ-QJGAVIKSSA-N. The full InChI is InChI=1S/C43H55N7O6/c1-6-49(7-2)22-12-10-14-38(52)32-24-33(39(53)15-11-13-23-50(8-3)9-4)26-36(25-32)45-42(55)30-16-19-34(20-17-30)47-48-41(29(5)51)43(56)44-35-21-18-31-27-40(54)46-37(31)28-35/h16-21,24-26,28,41H,6-15,22-23,27H2,1-5H3,(H,44,56)(H,45,55)(H,46,54)/b48-47+.

What are the key properties of N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide?

N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide has a molecular weight of 765.96 g/mol, XLogP of 7.50, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-bis[5-(diethylamino)pentanoyl]phenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydroindol-6-yl)amino]butan-2-yl]diazenyl]benzamide is sourced from PubChem (CID 159930669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).