2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate

C20H18N2O2 — CID 156582376

IUPAC2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O2/c23-20(11-15-13-22-19-8-4-2-6-17(15)19)24-10-9-14-12-21-18-7-3-1-5-16(14)18/h1-8,12-13,21-22H,9-11H2
InChIKeyQQJHMUZTCXCFCF-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.98
Rot. Bonds5

About 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate

2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate (PubChem CID 156582376) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate
PubChem CID156582376
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O2/c23-20(11-15-13-22-19-8-4-2-6-17(15)19)24-10-9-14-12-21-18-7-3-1-5-16(14)18/h1-8,12-13,21-22H,9-11H2
InChIKeyQQJHMUZTCXCFCF-UHFFFAOYSA-N
XLogP3.98
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate (CID 156582376) is 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate?
The InChIKey is QQJHMUZTCXCFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-20(11-15-13-22-19-8-4-2-6-17(15)19)24-10-9-14-12-21-18-7-3-1-5-16(14)18/h1-8,12-13,21-22H,9-11H2.
What are the key properties of 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate?
2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate has a molecular weight of 318.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)ethyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 156582376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).