chempirical

N-Isopropylphthalimide

C11H11NO2CAS 304-17-6189.21 g/mol

Open in Covalent MOL file
NOO
AmideLactam

Properties

Molecular formula
C11H11NO2
Molar mass
189.21 g/mol
Exact mass
189.0790 Da
Melting point
86 °C
logP
1.69Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
304-17-6
SMILES
CC(C)N1C(=O)c2ccccc2C1=O
InChIKey
VPLDXHDOGVIETL-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14/h3-7H,1-2H3

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Names and synonyms

6 names
  • 1H-Isoindole-1,3(2H)-dione, 2-(1-methylethyl)-
  • Phthalimide, N-isopropyl-
  • 2-(1-Methylethyl)-1H-isoindole-1,3(2H)-dione
  • NSC 406141
  • 2-Isopropylisoindoline-1,3-dione
  • 2-(Propan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione

Work with N-Isopropylphthalimide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-458 % similar Phthalimidopropiophenone19437-20-856 % similar N-Methylphthalimide550-44-754 % similar N,N-Bis(1-methylethyl)benzamide20383-28-252 % similar 2-(4-Oxocyclohexyl)-1H-isoindole-1,3(2H)-dione104618-32-850 % similar 2-Ethyl-1H-isoindole-1,3(2H)-dione5022-29-748 % similar N-Aminophthalimide1875-48-548 % similar N-Bromophthalimide2439-85-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

β-Indolylacetic acid methyl ester1912-33-0 2-Methyl-1H-indole-3-acetic acid1912-43-2 5-Methyl-3-indoleacetic acid1912-47-6 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-7 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile35202-54-1 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde36151-45-8 Ethyl 1H-indole-2-carboxylate3770-50-1 Ethyl α-cyanophenylacetate4553-07-5

Elsewhere

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