1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone

C17H24N2O2 — CID 103557268

IUPAC1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CC(CCN)c3ccccc32)CCC1
InChIInChI=1S/C17H24N2O2/c1-21-17(8-4-9-17)11-16(20)19-12-13(7-10-18)14-5-2-3-6-15(14)19/h2-3,5-6,13H,4,7-12,18H2,1H3
InChIKeyKGWLCIHBLFHRAI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds5

About 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone

1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103557268) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone
PubChem CID103557268
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)N2CC(CCN)c3ccccc32)CCC1
InChIInChI=1S/C17H24N2O2/c1-21-17(8-4-9-17)11-16(20)19-12-13(7-10-18)14-5-2-3-6-15(14)19/h2-3,5-6,13H,4,7-12,18H2,1H3
InChIKeyKGWLCIHBLFHRAI-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone (CID 103557268) is 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)N2CC(CCN)c3ccccc32)CCC1.
What is the InChIKey of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is KGWLCIHBLFHRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-17(8-4-9-17)11-16(20)19-12-13(7-10-18)14-5-2-3-6-15(14)19/h2-3,5-6,13H,4,7-12,18H2,1H3.
What are the key properties of 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone?
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103557268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).