3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one

C18H21N3O — CID 28933

IUPAC3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one
SMILESCN(C)N1C(=O)C(CCN)(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-20(2)21-16-11-7-6-10-15(16)18(12-13-19,17(21)22)14-8-4-3-5-9-14/h3-11H,12-13,19H2,1-2H3
InChIKeyOIKOKZYRYAPSJP-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.14
Rot. Bonds4

About 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one

3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one (PubChem CID 28933) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one
PubChem CID28933
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one
SMILESCN(C)N1C(=O)C(CCN)(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-20(2)21-16-11-7-6-10-15(16)18(12-13-19,17(21)22)14-8-4-3-5-9-14/h3-11H,12-13,19H2,1-2H3
InChIKeyOIKOKZYRYAPSJP-UHFFFAOYSA-N
XLogP2.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ropinirole
CID 5095
Ropinirole Hydrochloride
CID 68727
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
DR-4004
CID 9843179
3-Methyloxindole
CID 150923
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328618
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
3-(3,3-Dimethyl-2-oxoindolin-5-yl)benzonitrile
CID 9903358
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
(3E)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]-1H-indol-2-one
CID 5703613

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one?
The IUPAC name of 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one (CID 28933) is 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one is CN(C)N1C(=O)C(CCN)(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one?
The InChIKey is OIKOKZYRYAPSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(2)21-16-11-7-6-10-15(16)18(12-13-19,17(21)22)14-8-4-3-5-9-14/h3-11H,12-13,19H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one?
3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one has a molecular weight of 295.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(dimethylamino)-3-phenylindol-2-one is sourced from PubChem (CID 28933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).