2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C21H27N3O — CID 2098844

IUPAC2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CNC[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C21H27N3O/c1-16-13-18-11-7-8-12-19(18)24(16)21(25)15-22-14-20(23(2)3)17-9-5-4-6-10-17/h4-12,16,20,22H,13-15H2,1-3H3/t16-,20-/m1/s1
InChIKeyAJSDXPFEUQMXMR-OXQOHEQNSA-N
MW337.47 g/mol
LogP2.86
Rot. Bonds6

About 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 2098844) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID2098844
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CNC[C@H](c1ccccc1)N(C)C
InChIInChI=1S/C21H27N3O/c1-16-13-18-11-7-8-12-19(18)24(16)21(25)15-22-14-20(23(2)3)17-9-5-4-6-10-17/h4-12,16,20,22H,13-15H2,1-3H3/t16-,20-/m1/s1
InChIKeyAJSDXPFEUQMXMR-OXQOHEQNSA-N
XLogP2.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

2-(2,2-diphenylethylamino)-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 68967214
1-(2,3-dihydroindol-1-yl)-2-[[2-(dimethylamino)-2-phenylethyl]amino]ethanone
CID 5041685
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
N-[2-(dimethylamino)-2-phenylethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 112799631
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8635542
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
CID 108999183
2-[1-(3-chlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112796829
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8598292
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
2-[3-hydroxybutyl(methyl)amino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115665888

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 2098844) is 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is C[C@@H]1Cc2ccccc2N1C(=O)CNC[C@H](c1ccccc1)N(C)C.
What is the InChIKey of 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is AJSDXPFEUQMXMR-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-13-18-11-7-8-12-19(18)24(16)21(25)15-22-14-20(23(2)3)17-9-5-4-6-10-17/h4-12,16,20,22H,13-15H2,1-3H3/t16-,20-/m1/s1.
What are the key properties of 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 337.47 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 2098844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).