2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione

C17H16N2O2 — CID 25270870

IUPAC2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(N(C)C)cc1)C2=O
InChIInChI=1S/C17H16N2O2/c1-11-4-9-14-15(10-11)17(21)19(16(14)20)13-7-5-12(6-8-13)18(2)3/h4-10H,1-3H3
InChIKeyHUMHLYPAZIFGJR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.86
Rot. Bonds2

About 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione

2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione (PubChem CID 25270870) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione
PubChem CID25270870
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(c1ccc(N(C)C)cc1)C2=O
InChIInChI=1S/C17H16N2O2/c1-11-4-9-14-15(10-11)17(21)19(16(14)20)13-7-5-12(6-8-13)18(2)3/h4-10H,1-3H3
InChIKeyHUMHLYPAZIFGJR-UHFFFAOYSA-N
XLogP2.86
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-Phenylphthalimide
CID 68215
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
2,6-Dimethylphenylphthalimide
CID 73324
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
SF-51
CID 1219451
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144
ST50052723
CID 721301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione (CID 25270870) is 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(c1ccc(N(C)C)cc1)C2=O.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione?
The InChIKey is HUMHLYPAZIFGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-4-9-14-15(10-11)17(21)19(16(14)20)13-7-5-12(6-8-13)18(2)3/h4-10H,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione?
2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-5-methylisoindole-1,3-dione is sourced from PubChem (CID 25270870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).