3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

C22H25N3O7 — CID 3435435

IUPAC3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(C)c(N2C(=O)CC(NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1
InChIInChI=1S/C22H25N3O7/c1-12-6-7-14(29-2)10-16(12)25-19(26)11-15(22(25)28)23-24-21(27)13-8-17(30-3)20(32-5)18(9-13)31-4/h6-10,15,23H,11H2,1-5H3,(H,24,27)
InChIKeyXLQAOFWXTKRZNB-UHFFFAOYSA-N
MW443.46 g/mol
LogP1.60
Rot. Bonds8

About 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 3435435) has the molecular formula C22H25N3O7 and a molecular weight of 443.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID3435435
Molecular FormulaC22H25N3O7
Molecular Weight443.46 g/mol
Exact Mass443.17
IUPAC Name3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESCOc1ccc(C)c(N2C(=O)CC(NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1
InChIInChI=1S/C22H25N3O7/c1-12-6-7-14(29-2)10-16(12)25-19(26)11-15(22(25)28)23-24-21(27)13-8-17(30-3)20(32-5)18(9-13)31-4/h6-10,15,23H,11H2,1-5H3,(H,24,27)
InChIKeyXLQAOFWXTKRZNB-UHFFFAOYSA-N
XLogP1.60
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 3435435) is 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is COc1ccc(C)c(N2C(=O)CC(NNC(=O)c3cc(OC)c(OC)c(OC)c3)C2=O)c1.
What is the InChIKey of 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is XLQAOFWXTKRZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O7/c1-12-6-7-14(29-2)10-16(12)25-19(26)11-15(22(25)28)23-24-21(27)13-8-17(30-3)20(32-5)18(9-13)31-4/h6-10,15,23H,11H2,1-5H3,(H,24,27).
What are the key properties of 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 443.46 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N'-[1-(5-methoxy-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 3435435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).