ethyl 2,2-bis(1-methylindol-3-yl)acetate

C22H22N2O2 — CID 11279439

IUPACethyl 2,2-bis(1-methylindol-3-yl)acetate
SMILESCCOC(=O)C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C22H22N2O2/c1-4-26-22(25)21(17-13-23(2)19-11-7-5-9-15(17)19)18-14-24(3)20-12-8-6-10-16(18)20/h5-14,21H,4H2,1-3H3
InChIKeyFKWWKLOXQQQDMJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.36
Rot. Bonds4

About ethyl 2,2-bis(1-methylindol-3-yl)acetate

ethyl 2,2-bis(1-methylindol-3-yl)acetate (PubChem CID 11279439) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 2,2-bis(1-methylindol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-bis(1-methylindol-3-yl)acetate
PubChem CID11279439
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Nameethyl 2,2-bis(1-methylindol-3-yl)acetate
SMILESCCOC(=O)C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C22H22N2O2/c1-4-26-22(25)21(17-13-23(2)19-11-7-5-9-15(17)19)18-14-24(3)20-12-8-6-10-16(18)20/h5-14,21H,4H2,1-3H3
InChIKeyFKWWKLOXQQQDMJ-UHFFFAOYSA-N
XLogP4.36
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2,2-bis(1-methylindol-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-bis(1-methylindol-3-yl)acetate?
The IUPAC name of ethyl 2,2-bis(1-methylindol-3-yl)acetate (CID 11279439) is ethyl 2,2-bis(1-methylindol-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-bis(1-methylindol-3-yl)acetate?
The canonical SMILES for ethyl 2,2-bis(1-methylindol-3-yl)acetate is CCOC(=O)C(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of ethyl 2,2-bis(1-methylindol-3-yl)acetate?
The InChIKey is FKWWKLOXQQQDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-4-26-22(25)21(17-13-23(2)19-11-7-5-9-15(17)19)18-14-24(3)20-12-8-6-10-16(18)20/h5-14,21H,4H2,1-3H3.
What are the key properties of ethyl 2,2-bis(1-methylindol-3-yl)acetate?
ethyl 2,2-bis(1-methylindol-3-yl)acetate has a molecular weight of 346.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-bis(1-methylindol-3-yl)acetate is sourced from PubChem (CID 11279439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).