2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C19H22N2O — CID 9079616

IUPAC2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1ccc(C)c(NCC(=O)N2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C19H22N2O/c1-13-8-9-14(2)17(10-13)20-12-19(22)21-15(3)11-16-6-4-5-7-18(16)21/h4-10,15,20H,11-12H2,1-3H3/t15-/m0/s1
InChIKeyMRXUJUQPVGWGIB-HNNXBMFYSA-N
MW294.40 g/mol
LogP3.69
Rot. Bonds3

About 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 9079616) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID9079616
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1ccc(C)c(NCC(=O)N2c3ccccc3C[C@@H]2C)c1
InChIInChI=1S/C19H22N2O/c1-13-8-9-14(2)17(10-13)20-12-19(22)21-15(3)11-16-6-4-5-7-18(16)21/h4-10,15,20H,11-12H2,1-3H3/t15-/m0/s1
InChIKeyMRXUJUQPVGWGIB-HNNXBMFYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 113001141
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]ethanone
CID 109011151
2-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzamide
CID 113001074
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-phenoxyanilino)ethanone
CID 2468474
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109010975

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 9079616) is 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is Cc1ccc(C)c(NCC(=O)N2c3ccccc3C[C@@H]2C)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is MRXUJUQPVGWGIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-8-9-14(2)17(10-13)20-12-19(22)21-15(3)11-16-6-4-5-7-18(16)21/h4-10,15,20H,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 9079616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).