1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone

C17H18N2O2 — CID 9080490

IUPAC1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-21-16-9-5-3-7-14(16)18-12-17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,18H,10-12H2,1H3
InChIKeyNWZRICPBGATOQS-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.70
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone

1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone (PubChem CID 9080490) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
PubChem CID9080490
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-21-16-9-5-3-7-14(16)18-12-17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,18H,10-12H2,1H3
InChIKeyNWZRICPBGATOQS-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
CID 42067940
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
1-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 50825387
2-(4-chloro-2-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 26507089
2-(2-chloro-4-methylanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9099376
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110370788

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone (CID 9080490) is 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone is COc1ccccc1NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone?
The InChIKey is NWZRICPBGATOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-9-5-3-7-14(16)18-12-17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,18H,10-12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone has a molecular weight of 282.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone is sourced from PubChem (CID 9080490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).