2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide

C25H29N3O4 — CID 3658217

IUPAC2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide
SMILESCCC(CC)C(=O)NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H29N3O4/c1-4-19(5-2)24(31)26-28(23(30)15-18-9-7-6-8-10-18)21-16-22(29)27(25(21)32)20-13-11-17(3)12-14-20/h6-14,19,21H,4-5,15-16H2,1-3H3,(H,26,31)
InChIKeyMDARQEGVWHWHEP-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.17
Rot. Bonds7

About 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide

2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide (PubChem CID 3658217) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide.

Molecular Properties

Compound Name2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide
PubChem CID3658217
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide
SMILESCCC(CC)C(=O)NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccc(C)cc2)C1=O
InChIInChI=1S/C25H29N3O4/c1-4-19(5-2)24(31)26-28(23(30)15-18-9-7-6-8-10-18)21-16-22(29)27(25(21)32)20-13-11-17(3)12-14-20/h6-14,19,21H,4-5,15-16H2,1-3H3,(H,26,31)
InChIKeyMDARQEGVWHWHEP-UHFFFAOYSA-N
XLogP3.17
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
N-(furan-2-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23802125
2,4-dichloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
CID 3964815
3-chloro-N'-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2-phenylacetyl)benzohydrazide
CID 4669770
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23915145
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23859261
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)-2-phenylacetohydrazide
CID 3916327
N-benzyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23887067
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-(1-phenylethyl)acetamide
CID 23915141
3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23743856
(3S)-3-[benzyl(cyclopropyl)amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 51514997

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide?
The IUPAC name of 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide (CID 3658217) is 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide.
What is the SMILES notation for 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide?
The canonical SMILES for 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide is CCC(CC)C(=O)NN(C(=O)Cc1ccccc1)C1CC(=O)N(c2ccc(C)cc2)C1=O.
What is the InChIKey of 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide?
The InChIKey is MDARQEGVWHWHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-19(5-2)24(31)26-28(23(30)15-18-9-7-6-8-10-18)21-16-22(29)27(25(21)32)20-13-11-17(3)12-14-20/h6-14,19,21H,4-5,15-16H2,1-3H3,(H,26,31).
What are the key properties of 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide?
2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide has a molecular weight of 435.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide is sourced from PubChem (CID 3658217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).