N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide

C19H19N3O3 — CID 110703786

IUPACN-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide
SMILESO=C1NNC(=O)C1CCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c23-17(12-11-16-18(24)20-21-19(16)25)22(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)(H,21,25)
InChIKeyUCJYVMLOULQLIB-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.78
Rot. Bonds6

About N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide

N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide (PubChem CID 110703786) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide
PubChem CID110703786
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide
SMILESO=C1NNC(=O)C1CCC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3O3/c23-17(12-11-16-18(24)20-21-19(16)25)22(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)(H,21,25)
InChIKeyUCJYVMLOULQLIB-UHFFFAOYSA-N
XLogP1.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide
CID 110703657
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
N-benzyl-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-phenylpropanamide
CID 55380970
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N-benzyl-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylacetamide
CID 111123187
N-benzyl-3-(4-oxocinnolin-1-yl)-N-phenylpropanamide
CID 134015451
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
CID 113117602

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide (CID 110703786) is N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide is O=C1NNC(=O)C1CCC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide?
The InChIKey is UCJYVMLOULQLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-17(12-11-16-18(24)20-21-19(16)25)22(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,24)(H,21,25).
What are the key properties of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide?
N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide has a molecular weight of 337.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-phenylpropanamide is sourced from PubChem (CID 110703786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).