N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide

C23H25N3O7 — CID 3584190

IUPACN-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide
SMILESCCC(=O)N(NC(=O)COc1ccccc1)C1CC(=O)N(c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C23H25N3O7/c1-4-21(28)26(24-20(27)14-33-15-8-6-5-7-9-15)18-13-22(29)25(23(18)30)17-11-10-16(31-2)12-19(17)32-3/h5-12,18H,4,13-14H2,1-3H3,(H,24,27)
InChIKeyBTUNJGXZLHHTAG-UHFFFAOYSA-N
MW455.47 g/mol
LogP1.68
Rot. Bonds8

About N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide

N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide (PubChem CID 3584190) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide
PubChem CID3584190
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC NameN-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide
SMILESCCC(=O)N(NC(=O)COc1ccccc1)C1CC(=O)N(c2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C23H25N3O7/c1-4-21(28)26(24-20(27)14-33-15-8-6-5-7-9-15)18-13-22(29)25(23(18)30)17-11-10-16(31-2)12-19(17)32-3/h5-12,18H,4,13-14H2,1-3H3,(H,24,27)
InChIKeyBTUNJGXZLHHTAG-UHFFFAOYSA-N
XLogP1.68
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)but-2-enehydrazide
CID 3587139
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
CID 4234752
N'-acetyl-N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetohydrazide
CID 3830816
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 3318387
N'-[2-(4-methoxyphenoxy)acetyl]-N-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3795627
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylnaphthalene-1-carbohydrazide
CID 5135838
N'-[2-(4-chlorophenoxy)acetyl]-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylbutanehydrazide
CID 3288072
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 22332764
4-methoxy-N-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)benzohydrazide
CID 3836875
N'-acetyl-N'-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-naphthalen-1-yloxyacetohydrazide
CID 3472107
N'-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-propanoylpyridine-3-carbohydrazide
CID 2002874

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide (CID 3584190) is N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide is CCC(=O)N(NC(=O)COc1ccccc1)C1CC(=O)N(c2ccc(OC)cc2OC)C1=O.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide?
The InChIKey is BTUNJGXZLHHTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O7/c1-4-21(28)26(24-20(27)14-33-15-8-6-5-7-9-15)18-13-22(29)25(23(18)30)17-11-10-16(31-2)12-19(17)32-3/h5-12,18H,4,13-14H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide?
N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide has a molecular weight of 455.47 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)propanehydrazide is sourced from PubChem (CID 3584190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).