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

C14H20N2O2 — CID 55061280

IUPAC1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCC(O)CN(C)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-11(17)9-15(2)10-14(18)16-8-7-12-5-3-4-6-13(12)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyDTCPSNGOTUDVRK-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.89
Rot. Bonds4

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

1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone (PubChem CID 55061280) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
PubChem CID55061280
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
SMILESCC(O)CN(C)CC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H20N2O2/c1-11(17)9-15(2)10-14(18)16-8-7-12-5-3-4-6-13(12)16/h3-6,11,17H,7-10H2,1-2H3
InChIKeyDTCPSNGOTUDVRK-UHFFFAOYSA-N
XLogP0.89
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977
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
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-[(5-methylthiophen-2-yl)methyl-propan-2-ylamino]ethanone
CID 60585092
N-(2-bromophenyl)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9252666
N-butan-2-yl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]acetamide
CID 113159104
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]ethanone
CID 68964307
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30273145

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone (CID 55061280) is 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone is CC(O)CN(C)CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
The InChIKey is DTCPSNGOTUDVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(17)9-15(2)10-14(18)16-8-7-12-5-3-4-6-13(12)16/h3-6,11,17H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone has a molecular weight of 248.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone is sourced from PubChem (CID 55061280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).