3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione

C15H19NO2 — CID 44626814

IUPAC3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione
SMILESCCC1(CC(C)C)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-4-15(10-11(2)3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyIDCYZOAEGDFOSJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.00
Rot. Bonds4

About 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione

3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione (PubChem CID 44626814) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione
PubChem CID44626814
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione
SMILESCCC1(CC(C)C)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H19NO2/c1-4-15(10-11(2)3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyIDCYZOAEGDFOSJ-UHFFFAOYSA-N
XLogP3.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione 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 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione?
The IUPAC name of 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione (CID 44626814) is 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione.
What is the SMILES notation for 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione?
The canonical SMILES for 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione is CCC1(CC(C)C)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione?
The InChIKey is IDCYZOAEGDFOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-15(10-11(2)3)13(17)16(14(15)18)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione?
3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione has a molecular weight of 245.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylpropyl)-1-phenylazetidine-2,4-dione is sourced from PubChem (CID 44626814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).