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

C22H22N2O6 — CID 7027425

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate
SMILESCC[C@@H](OC(=O)[C@H](C)N1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccccc1OC
InChIInChI=1S/C22H22N2O6/c1-4-17(20(26)23-15-10-6-8-12-18(15)29-3)30-22(28)13(2)24-16-11-7-5-9-14(16)19(25)21(24)27/h5-13,17H,4H2,1-3H3,(H,23,26)/t13-,17+/m0/s1
InChIKeyHLJSCJPVQMXWTD-SUMWQHHRSA-N
MW410.43 g/mol
LogP2.57
Rot. Bonds7

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

[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate (PubChem CID 7027425) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate
PubChem CID7027425
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate
SMILESCC[C@@H](OC(=O)[C@H](C)N1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccccc1OC
InChIInChI=1S/C22H22N2O6/c1-4-17(20(26)23-15-10-6-8-12-18(15)29-3)30-22(28)13(2)24-16-11-7-5-9-14(16)19(25)21(24)27/h5-13,17H,4H2,1-3H3,(H,23,26)/t13-,17+/m0/s1
InChIKeyHLJSCJPVQMXWTD-SUMWQHHRSA-N
XLogP2.57
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.57
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] 2-(2,3-dioxoindol-1-yl)acetate
CID 7027420
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763591
N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
CID 4559680
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylpentanamide
CID 8714159
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
CID 7851261
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 51140735
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597285
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)-4-methylsulfonylbutanamide
CID 7027630
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate (CID 7027425) is [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate is CC[C@@H](OC(=O)[C@H](C)N1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccccc1OC.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
The InChIKey is HLJSCJPVQMXWTD-SUMWQHHRSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-4-17(20(26)23-15-10-6-8-12-18(15)29-3)30-22(28)13(2)24-16-11-7-5-9-14(16)19(25)21(24)27/h5-13,17H,4H2,1-3H3,(H,23,26)/t13-,17+/m0/s1.
What are the key properties of [(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate?
[(2R)-1-(2-methoxyanilino)-1-oxobutan-2-yl] (2S)-2-(2,3-dioxoindol-1-yl)propanoate has a molecular weight of 410.43 g/mol, XLogP of 2.57, 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] (2S)-2-(2,3-dioxoindol-1-yl)propanoate is sourced from PubChem (CID 7027425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).