1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone

C19H23N3O — CID 70206082

IUPAC1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-c3cccc(NCCCN)c3)cc21
InChIInChI=1S/C19H23N3O/c1-14(23)22-11-8-15-6-7-17(13-19(15)22)16-4-2-5-18(12-16)21-10-3-9-20/h2,4-7,12-13,21H,3,8-11,20H2,1H3
InChIKeyXXRBCCJOCFGUMR-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.02
Rot. Bonds5

About 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone

1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 70206082) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID70206082
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2ccc(-c3cccc(NCCCN)c3)cc21
InChIInChI=1S/C19H23N3O/c1-14(23)22-11-8-15-6-7-17(13-19(15)22)16-4-2-5-18(12-16)21-10-3-9-20/h2,4-7,12-13,21H,3,8-11,20H2,1H3
InChIKeyXXRBCCJOCFGUMR-UHFFFAOYSA-N
XLogP3.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone (CID 70206082) is 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2ccc(-c3cccc(NCCCN)c3)cc21.
What is the InChIKey of 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is XXRBCCJOCFGUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(23)22-11-8-15-6-7-17(13-19(15)22)16-4-2-5-18(12-16)21-10-3-9-20/h2,4-7,12-13,21H,3,8-11,20H2,1H3.
What are the key properties of 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone?
1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 309.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(3-aminopropylamino)phenyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 70206082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).