3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide

C20H20N2O3 — CID 17359363

IUPAC3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-12(2)11-21-18(23)14-9-8-13(3)17(10-14)22-19(24)15-6-4-5-7-16(15)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyPPMCPETVVCTKHT-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.18
Rot. Bonds4

About 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide

3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 17359363) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
PubChem CID17359363
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)C)cc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O3/c1-12(2)11-21-18(23)14-9-8-13(3)17(10-14)22-19(24)15-6-4-5-7-16(15)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyPPMCPETVVCTKHT-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
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

3-(1,3-dioxoisoindol-2-yl)-N,4-dimethylbenzamide
CID 168516556
3-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)benzamide
CID 4168644
N-[(2-chlorophenyl)methyl]-3-(1,3-dioxoisoindol-2-yl)-4-methylbenzamide
CID 17362843
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 32677765
2-(4-hydroxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17359183
2-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 9488931
2-[[3-(1,3-dioxoisoindol-2-yl)-4-methylbenzoyl]amino]-5-hydroxybenzoic acid
CID 17370705
2-(3-methoxyphenyl)-N-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362327
2-(2-methylphenyl)-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46557209
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
2-(2,5-dimethylphenyl)-N-[3-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 119433889
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide (CID 17359363) is 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)NCC(C)C)cc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is PPMCPETVVCTKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12(2)11-21-18(23)14-9-8-13(3)17(10-14)22-19(24)15-6-4-5-7-16(15)20(22)25/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide?
3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 17359363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).