3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one

C21H24N2O — CID 34201453

IUPAC3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCc2ccccc21)[C@H]1CCc2ccccc21
InChIInChI=1S/C21H24N2O/c1-22(20-11-10-16-6-2-4-8-18(16)20)14-13-21(24)23-15-12-17-7-3-5-9-19(17)23/h2-9,20H,10-15H2,1H3/t20-/m0/s1
InChIKeyJQWQFYMXVAOHOF-FQEVSTJZSA-N
MW320.44 g/mol
LogP3.59
Rot. Bonds4

About 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one

3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 34201453) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID34201453
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESCN(CCC(=O)N1CCc2ccccc21)[C@H]1CCc2ccccc21
InChIInChI=1S/C21H24N2O/c1-22(20-11-10-16-6-2-4-8-18(16)20)14-13-21(24)23-15-12-17-7-3-5-9-19(17)23/h2-9,20H,10-15H2,1H3/t20-/m0/s1
InChIKeyJQWQFYMXVAOHOF-FQEVSTJZSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one with MolForge

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Related Compounds

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CID 113115408
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113122513
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51934402
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1-(2,3-dihydroindol-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 55543965
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 111858977

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 34201453) is 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one is CN(CCC(=O)N1CCc2ccccc21)[C@H]1CCc2ccccc21.
What is the InChIKey of 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is JQWQFYMXVAOHOF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O/c1-22(20-11-10-16-6-2-4-8-18(16)20)14-13-21(24)23-15-12-17-7-3-5-9-19(17)23/h2-9,20H,10-15H2,1H3/t20-/m0/s1.
What are the key properties of 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 320.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 34201453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).