3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide

C20H20N2O3 — CID 973482

IUPAC3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1
InChIInChI=1S/C20H20N2O3/c1-12(2)11-22-19(24)16-8-7-15(10-17(16)20(22)25)21-18(23)14-6-4-5-13(3)9-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyHLKFEDPSHMXMIA-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.50
Rot. Bonds4

About 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide

3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide (PubChem CID 973482) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
PubChem CID973482
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide
SMILESCc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1
InChIInChI=1S/C20H20N2O3/c1-12(2)11-22-19(24)16-8-7-15(10-17(16)20(22)25)21-18(23)14-6-4-5-13(3)9-14/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyHLKFEDPSHMXMIA-UHFFFAOYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
4,5-Dianilinophthalimide
CID 1697
4-Aminophthalimide
CID 72915
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
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
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-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The IUPAC name of 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide (CID 973482) is 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide is Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c1.
What is the InChIKey of 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
The InChIKey is HLKFEDPSHMXMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12(2)11-22-19(24)16-8-7-15(10-17(16)20(22)25)21-18(23)14-6-4-5-13(3)9-14/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide?
3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]benzamide is sourced from PubChem (CID 973482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).