N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H18N2O3 — CID 2855849

IUPACN-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-9-12(2)16(10-11)20-17(22)13(3)21-18(23)14-6-4-5-7-15(14)19(21)24/h4-10,13H,1-3H3,(H,20,22)
InChIKeyZEKROONARVNIAR-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.93
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 2855849) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID2855849
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-9-12(2)16(10-11)20-17(22)13(3)21-18(23)14-6-4-5-7-15(14)19(21)24/h4-10,13H,1-3H3,(H,20,22)
InChIKeyZEKROONARVNIAR-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.93
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

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CID 134780
Ropinirole
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Lenalidomide
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Ropinirole Hydrochloride
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ML SA1
CID 2880983
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
(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
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
Pomalidomide, (S)-
CID 9965330
Lenalidomide, (S)-
CID 12044976

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 2855849) is N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc(C)c(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ZEKROONARVNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-8-9-12(2)16(10-11)20-17(22)13(3)21-18(23)14-6-4-5-7-15(14)19(21)24/h4-10,13H,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 322.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 2855849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).