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

C27H25N3O6 — CID 3836875

IUPAC4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
SMILESCOc1ccc(C(=O)N(NC(=O)Cc2ccccc2)C2CC(=O)N(c3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C27H25N3O6/c1-35-21-13-11-19(12-14-21)26(33)30(28-24(31)15-18-7-4-3-5-8-18)23-17-25(32)29(27(23)34)20-9-6-10-22(16-20)36-2/h3-14,16,23H,15,17H2,1-2H3,(H,28,31)
InChIKeyCPACYHFHMNGWFH-UHFFFAOYSA-N
MW487.51 g/mol
LogP2.75
Rot. Bonds7

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

4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide (PubChem CID 3836875) has the molecular formula C27H25N3O6 and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
PubChem CID3836875
Molecular FormulaC27H25N3O6
Molecular Weight487.51 g/mol
Exact Mass487.17
IUPAC Name4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
SMILESCOc1ccc(C(=O)N(NC(=O)Cc2ccccc2)C2CC(=O)N(c3cccc(OC)c3)C2=O)cc1
InChIInChI=1S/C27H25N3O6/c1-35-21-13-11-19(12-14-21)26(33)30(28-24(31)15-18-7-4-3-5-8-18)23-17-25(32)29(27(23)34)20-9-6-10-22(16-20)36-2/h3-14,16,23H,15,17H2,1-2H3,(H,28,31)
InChIKeyCPACYHFHMNGWFH-UHFFFAOYSA-N
XLogP2.75
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[benzoyl-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]carbamate
CID 4590585
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
N'-benzoyl-4-methoxy-N'-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3894788
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 3318387
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-thiophen-2-ylacetyl)benzohydrazide
CID 3296136
N-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-nitro-N'-(2-phenylacetyl)benzohydrazide
CID 3430216
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 4211772
N'-benzoyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-nitrobenzohydrazide
CID 3294111
N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide
CID 3830816
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 23916463
N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(4-methoxybenzoyl)-2-nitrobenzohydrazide
CID 4597658

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
The IUPAC name of 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide (CID 3836875) is 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide.
What is the SMILES notation for 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
The canonical SMILES for 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide is COc1ccc(C(=O)N(NC(=O)Cc2ccccc2)C2CC(=O)N(c3cccc(OC)c3)C2=O)cc1.
What is the InChIKey of 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
The InChIKey is CPACYHFHMNGWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O6/c1-35-21-13-11-19(12-14-21)26(33)30(28-24(31)15-18-7-4-3-5-8-18)23-17-25(32)29(27(23)34)20-9-6-10-22(16-20)36-2/h3-14,16,23H,15,17H2,1-2H3,(H,28,31).
What are the key properties of 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide?
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide has a molecular weight of 487.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide is sourced from PubChem (CID 3836875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).