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

C18H16N2O4 — CID 721269

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-24-15-9-5-4-8-14(15)19-16(21)10-11-20-17(22)12-6-2-3-7-13(12)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyPEWMCAQUFCSVLW-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.32
Rot. Bonds5

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

3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 721269) 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-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID721269
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-24-15-9-5-4-8-14(15)19-16(21)10-11-20-17(22)12-6-2-3-7-13(12)18(20)23/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyPEWMCAQUFCSVLW-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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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide (CID 721269) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is PEWMCAQUFCSVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-15-9-5-4-8-14(15)19-16(21)10-11-20-17(22)12-6-2-3-7-13(12)18(20)23/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 721269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).