2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone

C16H22N2O2 — CID 111858977

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)CC(O)C1CC1
InChIInChI=1S/C16H22N2O2/c1-17(10-15(19)13-6-7-13)11-16(20)18-9-8-12-4-2-3-5-14(12)18/h2-5,13,15,19H,6-11H2,1H3
InChIKeyXFWUMPQTYSQNGS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.28
Rot. Bonds5

About 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone

2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 111858977) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID111858977
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCN(CC(=O)N1CCc2ccccc21)CC(O)C1CC1
InChIInChI=1S/C16H22N2O2/c1-17(10-15(19)13-6-7-13)11-16(20)18-9-8-12-4-2-3-5-14(12)18/h2-5,13,15,19H,6-11H2,1H3
InChIKeyXFWUMPQTYSQNGS-UHFFFAOYSA-N
XLogP1.28
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 55061280
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 34201453
2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
CID 78862673
N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9252666
1-(2,3-dihydroindol-1-yl)-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 110020014
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone (CID 111858977) is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone is CN(CC(=O)N1CCc2ccccc21)CC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is XFWUMPQTYSQNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17(10-15(19)13-6-7-13)11-16(20)18-9-8-12-4-2-3-5-14(12)18/h2-5,13,15,19H,6-11H2,1H3.
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 111858977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).