2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone

C17H21NO2 — CID 103162400

IUPAC2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
SMILESCCOC1CC(CC(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C17H21NO2/c1-3-20-13-8-12(9-13)10-17(19)15-11-18(2)16-7-5-4-6-14(15)16/h4-7,11-13H,3,8-10H2,1-2H3
InChIKeyYXPMENNFBJQQCF-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.57
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone

2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone (PubChem CID 103162400) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
PubChem CID103162400
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
SMILESCCOC1CC(CC(=O)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C17H21NO2/c1-3-20-13-8-12(9-13)10-17(19)15-11-18(2)16-7-5-4-6-14(15)16/h4-7,11-13H,3,8-10H2,1-2H3
InChIKeyYXPMENNFBJQQCF-UHFFFAOYSA-N
XLogP3.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Xlr 11
CID 57501498
(1-(2-(4-Morpholinyl)ethyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11584525
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
AM-694
CID 9889172
1-methoxy-1H-indole-3-carbaldehyde
CID 398554
(1-((Tetrahydro-2H-pyran-4-yl)methyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11544639
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
[1-[(1-Methylpiperidin-2-yl)methyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537652
(1-hexyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 52224389
1-Methyl-1H-indole-3-carbaldehyde
CID 87894

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone (CID 103162400) is 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone is CCOC1CC(CC(=O)c2cn(C)c3ccccc23)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone?
The InChIKey is YXPMENNFBJQQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-20-13-8-12(9-13)10-17(19)15-11-18(2)16-7-5-4-6-14(15)16/h4-7,11-13H,3,8-10H2,1-2H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone?
2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 103162400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).