5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole

C21H22N2O2 — CID 54196890

IUPAC5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
SMILESCCOc1ccc2[nH]c(Cc3cc4cc(OCC)ccc4[nH]3)cc2c1
InChIInChI=1S/C21H22N2O2/c1-3-24-18-5-7-20-14(11-18)9-16(22-20)13-17-10-15-12-19(25-4-2)6-8-21(15)23-17/h5-12,22-23H,3-4,13H2,1-2H3
InChIKeyPMLITDCRPGZHJX-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.04
Rot. Bonds6

About 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole

5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole (PubChem CID 54196890) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
PubChem CID54196890
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole
SMILESCCOc1ccc2[nH]c(Cc3cc4cc(OCC)ccc4[nH]3)cc2c1
InChIInChI=1S/C21H22N2O2/c1-3-24-18-5-7-20-14(11-18)9-16(22-20)13-17-10-15-12-19(25-4-2)6-8-21(15)23-17/h5-12,22-23H,3-4,13H2,1-2H3
InChIKeyPMLITDCRPGZHJX-UHFFFAOYSA-N
XLogP5.04
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethoxy-1H-indol-2-yl)ethanamine
CID 83859527
6-ethoxy-2-sulfanylidene-1H-quinoline-3-carbonitrile
CID 865249
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
2,6-diethoxyanthracene
CID 12651989
2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
6-ethoxy-N'-hydroxy-2-oxo-1H-quinoline-3-carboximidamide
CID 135704525
2-ethoxynaphthalene
CID 118978197
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
ethoxyethane;2-ethoxynaphthalene
CID 118982387

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole?
The IUPAC name of 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole (CID 54196890) is 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole.
What is the SMILES notation for 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole?
The canonical SMILES for 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole is CCOc1ccc2[nH]c(Cc3cc4cc(OCC)ccc4[nH]3)cc2c1.
What is the InChIKey of 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole?
The InChIKey is PMLITDCRPGZHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-24-18-5-7-20-14(11-18)9-16(22-20)13-17-10-15-12-19(25-4-2)6-8-21(15)23-17/h5-12,22-23H,3-4,13H2,1-2H3.
What are the key properties of 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole?
5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole has a molecular weight of 334.42 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(5-ethoxy-1H-indol-2-yl)methyl]-1H-indole is sourced from PubChem (CID 54196890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).