N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide

C20H22N2O4 — CID 2832292

IUPACN-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC12C=CC(O1)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C20H22N2O4/c1-19(2,3)18(25)21-11-20-10-9-13(26-20)14-15(20)17(24)22(16(14)23)12-7-5-4-6-8-12/h4-10,13-15H,11H2,1-3H3,(H,21,25)
InChIKeyJWVOMBSRRJBJRP-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.66
Rot. Bonds3

About N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide

N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 2832292) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide
PubChem CID2832292
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC12C=CC(O1)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C20H22N2O4/c1-19(2,3)18(25)21-11-20-10-9-13(26-20)14-15(20)17(24)22(16(14)23)12-7-5-4-6-8-12/h4-10,13-15H,11H2,1-3H3,(H,21,25)
InChIKeyJWVOMBSRRJBJRP-UHFFFAOYSA-N
XLogP1.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide 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-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide (CID 2832292) is N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC12C=CC(O1)C1C(=O)N(c3ccccc3)C(=O)C12.
What is the InChIKey of N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is JWVOMBSRRJBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-19(2,3)18(25)21-11-20-10-9-13(26-20)14-15(20)17(24)22(16(14)23)12-7-5-4-6-8-12/h4-10,13-15H,11H2,1-3H3,(H,21,25).
What are the key properties of N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide?
N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 354.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dioxo-2-phenyl-7,7a-dihydro-3aH-4,7-epoxyisoindol-4-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2832292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).