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

C18H16N2O4 — CID 3803407

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-11(16(21)19-12-7-9-13(24-2)10-8-12)20-17(22)14-5-3-4-6-15(14)18(20)23/h3-11H,1-2H3,(H,19,21)
InChIKeyRBAIAHWJSWIAES-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.32
Rot. Bonds4

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

2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide (PubChem CID 3803407) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
PubChem CID3803407
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H16N2O4/c1-11(16(21)19-12-7-9-13(24-2)10-8-12)20-17(22)14-5-3-4-6-15(14)18(20)23/h3-11H,1-2H3,(H,19,21)
InChIKeyRBAIAHWJSWIAES-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
N-(4-methoxyphenyl)-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)propanamide
CID 3808689
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]propanamide
CID 108754317
methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
CID 31781233
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
(2S)-N-[4-(2,4-dichlorophenoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1217627
(2R)-N-[4-(2,4-dichlorophenoxy)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 1217628
2-methylpropyl 4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 19169182

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide (CID 3803407) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
The InChIKey is RBAIAHWJSWIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(16(21)19-12-7-9-13(24-2)10-8-12)20-17(22)14-5-3-4-6-15(14)18(20)23/h3-11H,1-2H3,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide has a molecular weight of 324.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 3803407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).