ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione

C21H23NO2 — CID 142479304

IUPACethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione
SMILESCC.Cc1ccc(C2CC2CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO2.C2H6/c1-12-6-8-13(9-7-12)17-10-14(17)11-20-18(21)15-4-2-3-5-16(15)19(20)22;1-2/h2-9,14,17H,10-11H2,1H3;1-2H3
InChIKeyJIBIVNUOXZUEJN-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.42
Rot. Bonds3

About ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione

ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione (PubChem CID 142479304) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Nameethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione
PubChem CID142479304
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Nameethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione
SMILESCC.Cc1ccc(C2CC2CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO2.C2H6/c1-12-6-8-13(9-7-12)17-10-14(17)11-20-18(21)15-4-2-3-5-16(15)19(20)22;1-2/h2-9,14,17H,10-11H2,1H3;1-2H3
InChIKeyJIBIVNUOXZUEJN-UHFFFAOYSA-N
XLogP4.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione 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

cis-methyl (1S,2S)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
CID 1239910
2-[(2S)-2-(4-methylphenyl)aziridin-1-yl]isoindole-1,3-dione
CID 102591338
ethane;4-[[2-(4-methylphenyl)cyclopropyl]methyl]-1,4-oxazepane
CID 142479284
2-(1,3-dithiolan-2-ylmethyl)isoindole-1,3-dione
CID 135060706
N-methyl-1-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 94558306
N-methyl-1-[(1S,2S)-2-(4-methylphenyl)cyclopropyl]methanamine
CID 89010387
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
2-[(2-hydroxycyclohexyl)methyl]-5-methylisoindole-1,3-dione
CID 64911474
2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 874332
2-[[2-[2-(3-tert-butyl-4-ethylcyclopentyl)ethyl]-4-ethylcyclopentyl]methyl]isoindole-1,3-dione
CID 58961470
2-[(3,3-dimethyloxiran-2-yl)methyl]isoindole-1,3-dione
CID 117064119
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione?
The IUPAC name of ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione (CID 142479304) is ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione?
The canonical SMILES for ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione is CC.Cc1ccc(C2CC2CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione?
The InChIKey is JIBIVNUOXZUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2.C2H6/c1-12-6-8-13(9-7-12)17-10-14(17)11-20-18(21)15-4-2-3-5-16(15)19(20)22;1-2/h2-9,14,17H,10-11H2,1H3;1-2H3.
What are the key properties of ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione?
ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione has a molecular weight of 321.42 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[2-(4-methylphenyl)cyclopropyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 142479304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).