N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C19H17N3O4 — CID 1070495

IUPACN-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12(23)20-13-6-8-14(9-7-13)21-17(24)10-11-22-18(25)15-4-2-3-5-16(15)19(22)26/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyPMNCDJOPGWIIRU-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.27
Rot. Bonds5

About N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 1070495) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID1070495
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12(23)20-13-6-8-14(9-7-13)21-17(24)10-11-22-18(25)15-4-2-3-5-16(15)19(22)26/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyPMNCDJOPGWIIRU-UHFFFAOYSA-N
XLogP2.27
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
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
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

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 1070495) is N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is CC(=O)Nc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is PMNCDJOPGWIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(23)20-13-6-8-14(9-7-13)21-17(24)10-11-22-18(25)15-4-2-3-5-16(15)19(22)26/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 351.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 1070495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).