[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

C19H16N2O6 — CID 7804539

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O6/c1-26-13-8-6-12(7-9-13)20-16(22)11-27-17(23)10-21-15-5-3-2-4-14(15)18(24)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyAZSXIMIQWIPKKP-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.41
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 7804539) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID7804539
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O6/c1-26-13-8-6-12(7-9-13)20-16(22)11-27-17(23)10-21-15-5-3-2-4-14(15)18(24)19(21)25/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyAZSXIMIQWIPKKP-UHFFFAOYSA-N
XLogP1.41
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2276147
[2-(2-chloroanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804535
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804356
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554687
1-[(4-methoxyanilino)methyl]indole-2,3-dione
CID 21204155
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2894299
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 2513782
[2-(3-methoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554588
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804579
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 2554664
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804609
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 41464026

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 7804539) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is COc1ccc(NC(=O)COC(=O)CN2C(=O)C(=O)c3ccccc32)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is AZSXIMIQWIPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-26-13-8-6-12(7-9-13)20-16(22)11-27-17(23)10-21-15-5-3-2-4-14(15)18(24)19(21)25/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 368.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 7804539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).