1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone

C22H24N2O3 — CID 75403700

IUPAC1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
SMILESCC1CN(C(=O)COCC(=O)N2CC(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-15-11-23(19-9-5-3-7-17(15)19)21(25)13-27-14-22(26)24-12-16(2)18-8-4-6-10-20(18)24/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPXWZIULZJLMKOI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone

1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone (PubChem CID 75403700) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone.

Molecular Properties

Compound Name1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
PubChem CID75403700
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
SMILESCC1CN(C(=O)COCC(=O)N2CC(C)c3ccccc32)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-15-11-23(19-9-5-3-7-17(15)19)21(25)13-27-14-22(26)24-12-16(2)18-8-4-6-10-20(18)24/h3-10,15-16H,11-14H2,1-2H3
InChIKeyPXWZIULZJLMKOI-UHFFFAOYSA-N
XLogP3.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone?
The IUPAC name of 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone (CID 75403700) is 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone.
What is the SMILES notation for 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone?
The canonical SMILES for 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone is CC1CN(C(=O)COCC(=O)N2CC(C)c3ccccc32)c2ccccc21.
What is the InChIKey of 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone?
The InChIKey is PXWZIULZJLMKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-11-23(19-9-5-3-7-17(15)19)21(25)13-27-14-22(26)24-12-16(2)18-8-4-6-10-20(18)24/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone?
1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone has a molecular weight of 364.45 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,3-dihydroindol-1-yl)-2-[2-(3-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone is sourced from PubChem (CID 75403700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).