2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate

C22H20N2O4 — CID 582695

IUPAC2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCCOC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c25-21(11-15-13-23-19-7-3-1-5-17(15)19)27-9-10-28-22(26)12-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2
InChIKeyBLQSJZHGNDVFEX-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.52
Rot. Bonds7

About 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate

2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate (PubChem CID 582695) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate
PubChem CID582695
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCCOC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O4/c25-21(11-15-13-23-19-7-3-1-5-17(15)19)27-9-10-28-22(26)12-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2
InChIKeyBLQSJZHGNDVFEX-UHFFFAOYSA-N
XLogP3.52
TPSA84.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate (CID 582695) is 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCCOC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate?
The InChIKey is BLQSJZHGNDVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(11-15-13-23-19-7-3-1-5-17(15)19)27-9-10-28-22(26)12-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2.
What are the key properties of 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate?
2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate has a molecular weight of 376.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indol-3-yl)acetyl]oxyethyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 582695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).