1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone

C19H22N2O — CID 54819245

IUPAC1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
SMILESCCc1cccc(C)c1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H22N2O/c1-3-15-9-6-7-14(2)19(15)20-13-18(22)21-12-11-16-8-4-5-10-17(16)21/h4-10,20H,3,11-13H2,1-2H3
InChIKeyIAIYWIZSLTVCEW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.56
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone

1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone (PubChem CID 54819245) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
PubChem CID54819245
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone
SMILESCCc1cccc(C)c1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C19H22N2O/c1-3-15-9-6-7-14(2)19(15)20-13-18(22)21-12-11-16-8-4-5-10-17(16)21/h4-10,20H,3,11-13H2,1-2H3
InChIKeyIAIYWIZSLTVCEW-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
CID 109034727
N-(2,6-diethylphenyl)-3-(2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108953265
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
3-(2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108945426
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]propanamide
CID 47413298
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
CID 109003865
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489293
1-(2,3-dihydroindol-1-yl)-2-[(6-methylpyrazin-2-yl)amino]ethanone
CID 133469730

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone (CID 54819245) is 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone is CCc1cccc(C)c1NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone?
The InChIKey is IAIYWIZSLTVCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-3-15-9-6-7-14(2)19(15)20-13-18(22)21-12-11-16-8-4-5-10-17(16)21/h4-10,20H,3,11-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone has a molecular weight of 294.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(2-ethyl-6-methylanilino)ethanone is sourced from PubChem (CID 54819245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).