[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate

C21H20N2O6 — CID 7027420

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCC[C@@H](OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccccc1OC
InChIInChI=1S/C21H20N2O6/c1-3-16(20(26)22-14-9-5-7-11-17(14)28-2)29-18(24)12-23-15-10-6-4-8-13(15)19(25)21(23)27/h4-11,16H,3,12H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyNLBKZWFHZONMMI-MRXNPFEDSA-N
MW396.40 g/mol
LogP2.18
Rot. Bonds7

About [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate

[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 7027420) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID7027420
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCC[C@@H](OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccccc1OC
InChIInChI=1S/C21H20N2O6/c1-3-16(20(26)22-14-9-5-7-11-17(14)28-2)29-18(24)12-23-15-10-6-4-8-13(15)19(25)21(23)27/h4-11,16H,3,12H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyNLBKZWFHZONMMI-MRXNPFEDSA-N
XLogP2.18
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.18
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

[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate
CID 7027425
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763591
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
CID 8576627
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804457
N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]butanamide
CID 43819742
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804404
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
[(1R)-1-cyanoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804446
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 31459467
(2S)-N-(2,4-dimethoxyphenyl)-2-[[2-(2,3-dioxoindol-1-yl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 2717855
2-[benzyl-[2-(2,3-dioxoindol-1-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 43819709
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate (CID 7027420) is [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate is CC[C@@H](OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccccc1OC.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is NLBKZWFHZONMMI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-3-16(20(26)22-14-9-5-7-11-17(14)28-2)29-18(24)12-23-15-10-6-4-8-13(15)19(25)21(23)27/h4-11,16H,3,12H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate?
[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 396.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 7027420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).