3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide

C20H26N2O3 — CID 87009439

IUPAC3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)CCN1C(=O)C2CCCCC2C1=O)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-14(2)22(15-8-4-3-5-9-15)18(23)12-13-21-19(24)16-10-6-7-11-17(16)20(21)25/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyLFASTQJYTWVJFV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.99
Rot. Bonds5

About 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide

3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide (PubChem CID 87009439) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide
PubChem CID87009439
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C(=O)CCN1C(=O)C2CCCCC2C1=O)c1ccccc1
InChIInChI=1S/C20H26N2O3/c1-14(2)22(15-8-4-3-5-9-15)18(23)12-13-21-19(24)16-10-6-7-11-17(16)20(21)25/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3
InChIKeyLFASTQJYTWVJFV-UHFFFAOYSA-N
XLogP2.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-butyl-N-phenylpropanamide
CID 98388283
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methyl-N-(3-phenylpropyl)propanamide
CID 55710540
[2-(N-methylanilino)-2-oxoethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 7635347
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1R)-1-cyclopropylethyl]-N-methylpropanamide
CID 98377628
2-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 4803502
2-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)-N-phenyl-N-propan-2-ylacetamide
CID 24534093
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 8912251
N-[1-(4-chlorophenyl)ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-methylpropanamide
CID 46598913
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 26178020
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 51535172
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 11934827
2-cyclohexyloxy-N-phenyl-N-propan-2-ylacetamide
CID 86776862

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide (CID 87009439) is 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide is CC(C)N(C(=O)CCN1C(=O)C2CCCCC2C1=O)c1ccccc1.
What is the InChIKey of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide?
The InChIKey is LFASTQJYTWVJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)22(15-8-4-3-5-9-15)18(23)12-13-21-19(24)16-10-6-7-11-17(16)20(21)25/h3-5,8-9,14,16-17H,6-7,10-13H2,1-2H3.
What are the key properties of 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide?
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide has a molecular weight of 342.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-phenyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 87009439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).