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

C14H17N3O3 — CID 110703657

IUPACN-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1C(=O)NNC1=O
InChIInChI=1S/C14H17N3O3/c1-17(9-10-5-3-2-4-6-10)12(18)8-7-11-13(19)15-16-14(11)20/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyLOSTYCVVZBQPGV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.20
Rot. Bonds5

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

N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide (PubChem CID 110703657) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide
PubChem CID110703657
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1C(=O)NNC1=O
InChIInChI=1S/C14H17N3O3/c1-17(9-10-5-3-2-4-6-10)12(18)8-7-11-13(19)15-16-14(11)20/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyLOSTYCVVZBQPGV-UHFFFAOYSA-N
XLogP0.20
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.20
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'}

Analyze N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide (CID 110703657) is N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCC1C(=O)NNC1=O.
What is the InChIKey of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide?
The InChIKey is LOSTYCVVZBQPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17(9-10-5-3-2-4-6-10)12(18)8-7-11-13(19)15-16-14(11)20/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide?
N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide has a molecular weight of 275.31 g/mol, XLogP of 0.20, 5 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-methylpropanamide is sourced from PubChem (CID 110703657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).