[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

C19H16N2O5 — CID 2554591

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H16N2O5/c1-12-5-4-6-13(9-12)20-16(22)11-26-17(23)10-21-18(24)14-7-2-3-8-15(14)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyUIIXUBXOGJHCMZ-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.77
Rot. Bonds5

About [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (PubChem CID 2554591) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
PubChem CID2554591
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
SMILESCc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H16N2O5/c1-12-5-4-6-13(9-12)20-16(22)11-26-17(23)10-21-18(24)14-7-2-3-8-15(14)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyUIIXUBXOGJHCMZ-UHFFFAOYSA-N
XLogP1.77
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
ST50052723
CID 721301
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(2-isopropyl-phenyl)-acetamide
CID 680595
1,3-Dihydro-alpha-(3-((4-methylphenyl)amino)-3-oxopropyl)-1,3-dioxo-2H-isoindole-2-acetic acid
CID 653406
4-(1,3-dioxoisoindol-2-yl)-N-phenylbutanamide
CID 744549
N-(4-Dimethylamino-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 679884
N-(3-Acetyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 721388
N-(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2-phenylacetamide
CID 973563
N-(2,5-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2855849

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate (CID 2554591) is [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is Cc1cccc(NC(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
The InChIKey is UIIXUBXOGJHCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12-5-4-6-13(9-12)20-16(22)11-26-17(23)10-21-18(24)14-7-2-3-8-15(14)19(21)25/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate?
[2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate has a molecular weight of 352.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate is sourced from PubChem (CID 2554591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).