N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide

C28H25N3O4 — CID 4040999

IUPACN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide
SMILESCC=CC(=O)N(NC(=O)C(c1ccccc1)c1ccccc1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C28H25N3O4/c1-2-12-24(32)31(23-19-25(33)30(28(23)35)22-17-10-5-11-18-22)29-27(34)26(20-13-6-3-7-14-20)21-15-8-4-9-16-21/h2-18,23,26H,19H2,1H3,(H,29,34)
InChIKeyRTQNFALFXRPXEQ-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.59
Rot. Bonds6

About N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide

N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide (PubChem CID 4040999) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide.

Molecular Properties

Compound NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide
PubChem CID4040999
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide
SMILESCC=CC(=O)N(NC(=O)C(c1ccccc1)c1ccccc1)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C28H25N3O4/c1-2-12-24(32)31(23-19-25(33)30(28(23)35)22-17-10-5-11-18-22)29-27(34)26(20-13-6-3-7-14-20)21-15-8-4-9-16-21/h2-18,23,26H,19H2,1H3,(H,29,34)
InChIKeyRTQNFALFXRPXEQ-UHFFFAOYSA-N
XLogP3.59
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N'-but-2-enoyl-N'-[1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 5157641
N'-but-2-enoyl-N'-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4,5-trimethoxybenzohydrazide
CID 3396312
N'-but-2-enoyl-N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 3639291
N'-acetyl-N'-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
CID 3749099
N'-but-2-enoyl-N'-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-4-methoxybenzohydrazide
CID 4281790
N-[1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenoxyacetyl)but-2-enehydrazide
CID 3587139
2-ethyl-N'-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N'-(2-phenylacetyl)butanehydrazide
CID 3658217
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 3710802
N-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]acetamide
CID 1258880
N'-[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2-diphenylacetohydrazide
CID 1120045
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-[2-(4-methoxyphenoxy)acetyl]-2-methylbutanehydrazide
CID 4234752
N'-benzoyl-N'-[1-(3,5-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 3255352

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide?
The IUPAC name of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide (CID 4040999) is N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide.
What is the SMILES notation for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide?
The canonical SMILES for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide is CC=CC(=O)N(NC(=O)C(c1ccccc1)c1ccccc1)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide?
The InChIKey is RTQNFALFXRPXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-2-12-24(32)31(23-19-25(33)30(28(23)35)22-17-10-5-11-18-22)29-27(34)26(20-13-6-3-7-14-20)21-15-8-4-9-16-21/h2-18,23,26H,19H2,1H3,(H,29,34).
What are the key properties of N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide?
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide has a molecular weight of 467.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N'-(2,2-diphenylacetyl)but-2-enehydrazide is sourced from PubChem (CID 4040999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).