[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone

C21H21N3O2 — CID 5330541

IUPAC[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)CCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C21H21N3O2/c1-24(2)9-10-26-16-7-8-18-15(11-16)13-20(23-18)21(25)19-12-14-5-3-4-6-17(14)22-19/h3-8,11-13,22-23H,9-10H2,1-2H3
InChIKeyMWOGGCAYFLMOGW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.82
Rot. Bonds6

About [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone

[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone (PubChem CID 5330541) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone
PubChem CID5330541
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone
SMILESCN(C)CCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C21H21N3O2/c1-24(2)9-10-26-16-7-8-18-15(11-16)13-20(23-18)21(25)19-12-14-5-3-4-6-17(14)22-19/h3-8,11-13,22-23H,9-10H2,1-2H3
InChIKeyMWOGGCAYFLMOGW-UHFFFAOYSA-N
XLogP3.82
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone (CID 5330541) is [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone is CN(C)CCOc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
The InChIKey is MWOGGCAYFLMOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24(2)9-10-26-16-7-8-18-15(11-16)13-20(23-18)21(25)19-12-14-5-3-4-6-17(14)22-19/h3-8,11-13,22-23H,9-10H2,1-2H3.
What are the key properties of [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone?
[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 5330541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).