3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide

C32H36N6O10 — CID 3342821

About 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide (PubChem CID 3342821) has the molecular formula C32H36N6O10 and a molecular weight of 664.67 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide
• PubChem CID: 3342821
• Molecular Formula: C32H36N6O10
• Molecular Weight: 664.67 g/mol
• Exact Mass: 664.25
• IUPAC Name: 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide
• SMILES: COc1cc(C(=O)NCC(=O)NN=Cc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC
• InChI: InChI=1S/C32H36N6O10/c1-43-23-11-21(12-24(44-2)29(23)47-5)31(41)33-17-27(39)37-35-15-19-7-9-20(10-8-19)16-36-38-28(40)18-34-32(42)22-13-25(45-3)30(48-6)26(14-22)46-4/h7-16H,17-18H2,1-6H3,(H,33,41)(H,34,42)(H,37,39)(H,38,40)
• InChIKey: SQYPHBBOAQFORR-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 196.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.67
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide?

The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide (CID 3342821) is 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide.

What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide?

The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide is COc1cc(C(=O)NCC(=O)NN=Cc2ccc(C=NNC(=O)CNC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc(OC)c1OC.

What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide?

The InChIKey is SQYPHBBOAQFORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O10/c1-43-23-11-21(12-24(44-2)29(23)47-5)31(41)33-17-27(39)37-35-15-19-7-9-20(10-8-19)16-36-38-28(40)18-34-32(42)22-13-25(45-3)30(48-6)26(14-22)46-4/h7-16H,17-18H2,1-6H3,(H,33,41)(H,34,42)(H,37,39)(H,38,40).

What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide?

3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide has a molecular weight of 664.67 g/mol, XLogP of 1.50, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,5-trimethoxy-N-[2-oxo-2-[2-[[4-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 3342821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).