[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate

C22H20N2O6 — CID 7804609

IUPAC[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C22H20N2O6/c1-14(25)17(11-15-7-3-2-4-8-15)23-19(26)13-30-20(27)12-24-18-10-6-5-9-16(18)21(28)22(24)29/h2-10,17H,11-13H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyBJVVZXSYQAZINM-KRWDZBQOSA-N
MW408.41 g/mol
LogP1.08
Rot. Bonds8

About [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate (PubChem CID 7804609) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
PubChem CID7804609
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate
SMILESCC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)C(=O)c2ccccc21
InChIInChI=1S/C22H20N2O6/c1-14(25)17(11-15-7-3-2-4-8-15)23-19(26)13-30-20(27)12-24-18-10-6-5-9-16(18)21(28)22(24)29/h2-10,17H,11-13H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyBJVVZXSYQAZINM-KRWDZBQOSA-N
XLogP1.08
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate with MolForge

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Related Compounds

[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 8505811
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804356
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate
CID 40966943
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 46789929
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804539
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2894299
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 46649350
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-methoxybenzoate
CID 7811805
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 2276147
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061805
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804306

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate (CID 7804609) is [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate is CC(=O)[C@H](Cc1ccccc1)NC(=O)COC(=O)CN1C(=O)C(=O)c2ccccc21.
What is the InChIKey of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
The InChIKey is BJVVZXSYQAZINM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-14(25)17(11-15-7-3-2-4-8-15)23-19(26)13-30-20(27)12-24-18-10-6-5-9-16(18)21(28)22(24)29/h2-10,17H,11-13H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate?
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate has a molecular weight of 408.41 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 7804609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).