3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide

C18H16N2O3 — CID 682204

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16N2O3/c1-12-5-4-6-13(11-12)19-16(21)9-10-20-17(22)14-7-2-3-8-15(14)18(20)23/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyNOGBMKVETSMADM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds4

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

3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide (PubChem CID 682204) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide
PubChem CID682204
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16N2O3/c1-12-5-4-6-13(11-12)19-16(21)9-10-20-17(22)14-7-2-3-8-15(14)18(20)23/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyNOGBMKVETSMADM-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
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

Ropinirole
CID 5095
Lenalidomide
CID 216326
Ropinirole Hydrochloride
CID 68727
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
5-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 726931
1H-Isoindole-1,3(2H)-dione, 4-amino-
CID 72914
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide (CID 682204) is 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is NOGBMKVETSMADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-5-4-6-13(11-12)19-16(21)9-10-20-17(22)14-7-2-3-8-15(14)18(20)23/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 308.34 g/mol, XLogP of 2.62, 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)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 682204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).