2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride

C22H26ClN3O — CID 170893839

IUPAC2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCc1c(CC(C)N)c2ccccc2n1CC(=O)N1CCc2ccccc21.Cl
InChIInChI=1S/C22H25N3O.ClH/c1-15(23)13-19-16(2)25(21-10-6-4-8-18(19)21)14-22(26)24-12-11-17-7-3-5-9-20(17)24;/h3-10,15H,11-14,23H2,1-2H3;1H
InChIKeyOWGFHCPMABBKKP-UHFFFAOYSA-N
MW383.92 g/mol
LogP3.85
Rot. Bonds4

About 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride

2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride (PubChem CID 170893839) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
PubChem CID170893839
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
SMILESCc1c(CC(C)N)c2ccccc2n1CC(=O)N1CCc2ccccc21.Cl
InChIInChI=1S/C22H25N3O.ClH/c1-15(23)13-19-16(2)25(21-10-6-4-8-18(19)21)14-22(26)24-12-11-17-7-3-5-9-20(17)24;/h3-10,15H,11-14,23H2,1-2H3;1H
InChIKeyOWGFHCPMABBKKP-UHFFFAOYSA-N
XLogP3.85
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylindole-3-carbaldehyde
CID 783760
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CID 170889788
4-amino-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]pentanamide;hydrochloride
CID 120562063
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2S)-2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119857356
1-(2,3-dihydroindol-1-yl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]ethanone
CID 4781683
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpyrazolo[4,5-b]indol-4-yl)ethanone
CID 177035206
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
CID 120669812
N-[(1S)-1-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184002

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride (CID 170893839) is 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride is Cc1c(CC(C)N)c2ccccc2n1CC(=O)N1CCc2ccccc21.Cl.
What is the InChIKey of 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride?
The InChIKey is OWGFHCPMABBKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.ClH/c1-15(23)13-19-16(2)25(21-10-6-4-8-18(19)21)14-22(26)24-12-11-17-7-3-5-9-20(17)24;/h3-10,15H,11-14,23H2,1-2H3;1H.
What are the key properties of 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride?
2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 170893839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).