[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate

C24H20N2O4 — CID 2383248

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c27-23(16-29-24(28)14-17-15-25-22-9-5-4-8-21(17)22)26-18-10-12-20(13-11-18)30-19-6-2-1-3-7-19/h1-13,15,25H,14,16H2,(H,26,27)
InChIKeyGWPRJPCSBNLLOQ-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.68
Rot. Bonds7

About [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate

[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 2383248) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
PubChem CID2383248
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate
SMILESO=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H20N2O4/c27-23(16-29-24(28)14-17-15-25-22-9-5-4-8-21(17)22)26-18-10-12-20(13-11-18)30-19-6-2-1-3-7-19/h1-13,15,25H,14,16H2,(H,26,27)
InChIKeyGWPRJPCSBNLLOQ-UHFFFAOYSA-N
XLogP4.68
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
[2-(4-ethylanilino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665948
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenoxyanilino)ethyl]acetamide
CID 113000397
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 3422352
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-acetamidophenyl)acetate
CID 8609217
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671886
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2095378
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4031786
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-(1H-indol-3-yl)acetate
CID 8896357

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate (CID 2383248) is [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate is O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is GWPRJPCSBNLLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-23(16-29-24(28)14-17-15-25-22-9-5-4-8-21(17)22)26-18-10-12-20(13-11-18)30-19-6-2-1-3-7-19/h1-13,15,25H,14,16H2,(H,26,27).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 400.43 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 2383248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).