2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C21H26N2O — CID 109008215

IUPAC2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C21H26N2O/c1-15-13-16-9-5-8-12-19(16)23(15)20(24)14-22-18-11-7-6-10-17(18)21(2,3)4/h5-12,15,22H,13-14H2,1-4H3
InChIKeyUBFVGFDTVCLEHS-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.37
Rot. Bonds3

About 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 109008215) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID109008215
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1Cc2ccccc2N1C(=O)CNc1ccccc1C(C)(C)C
InChIInChI=1S/C21H26N2O/c1-15-13-16-9-5-8-12-19(16)23(15)20(24)14-22-18-11-7-6-10-17(18)21(2,3)4/h5-12,15,22H,13-14H2,1-4H3
InChIKeyUBFVGFDTVCLEHS-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
2-(2,4-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9081007
2-(3-chloro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099236
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
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
2-(2,5-dimethylanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9079616
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
2-(2-chloro-4-fluoroanilino)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099520

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 109008215) is 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is CC1Cc2ccccc2N1C(=O)CNc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is UBFVGFDTVCLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-15-13-16-9-5-8-12-19(16)23(15)20(24)14-22-18-11-7-6-10-17(18)21(2,3)4/h5-12,15,22H,13-14H2,1-4H3.
What are the key properties of 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 322.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 109008215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).