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

C18H16N2O4 — CID 682229

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-24-13-8-6-12(7-9-13)19-16(21)10-11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeySPYKPBHKGMTDEC-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.32
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 682229) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID682229
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-24-13-8-6-12(7-9-13)19-16(21)10-11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeySPYKPBHKGMTDEC-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione hydrobromide (1:1)
CID 107966
Nan 190
CID 4431
Etomidoline
CID 3309
2-(4-Methoxyphenyl)-1H-isoindole-1,3(2H)-dione
CID 250687
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
CID 5288679
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
Amphotalide
CID 71806
1H-Isoindole-1,3(2H)-dione, 2-((3,4-dihydro-3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl)methyl)-
CID 217632
1,2-Benzisoselenazol-3(2H)-one, 2-(4-methoxyphenyl)-
CID 3067568
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
2-{2-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1366773
1-Ethyl-3-[(4-methoxyphenyl)amino]-4-phenyl-1H-pyrrole-2,5-dione
CID 24768118

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide (CID 682229) is 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is SPYKPBHKGMTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-13-8-6-12(7-9-13)19-16(21)10-11-20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 682229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).