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

C18H16N2O4 — CID 679819

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16N2O4/c1-11(16(21)19-12-6-5-7-13(10-12)24-2)20-17(22)14-8-3-4-9-15(14)18(20)23/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyWDKOMGQQTMHPLI-NSHDSACASA-N
MW324.34 g/mol
LogP2.32
Rot. Bonds4

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

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 679819) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID679819
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H16N2O4/c1-11(16(21)19-12-6-5-7-13(10-12)24-2)20-17(22)14-8-3-4-9-15(14)18(20)23/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyWDKOMGQQTMHPLI-NSHDSACASA-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

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926584
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951292
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
N-[2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methoxybenzamide
CID 108539201
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide (CID 679819) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is WDKOMGQQTMHPLI-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11(16(21)19-12-6-5-7-13(10-12)24-2)20-17(22)14-8-3-4-9-15(14)18(20)23/h3-11H,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-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 (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 679819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).