1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone

C20H24N2O3 — CID 54827531

IUPAC1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
SMILESCCOCCOc1ccccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-2-24-13-14-25-19-10-6-4-8-17(19)21-15-20(23)22-12-11-16-7-3-5-9-18(16)22/h3-10,21H,2,11-15H2,1H3
InChIKeyBHNYSMLPIOFIQT-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.10
Rot. Bonds8

About 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone (PubChem CID 54827531) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
PubChem CID54827531
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
SMILESCCOCCOc1ccccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-2-24-13-14-25-19-10-6-4-8-17(19)21-15-20(23)22-12-11-16-7-3-5-9-18(16)22/h3-10,21H,2,11-15H2,1H3
InChIKeyBHNYSMLPIOFIQT-UHFFFAOYSA-N
XLogP3.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54827804
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
N'-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 4599962
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
CID 23522461
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 9105631
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
1-(2,3-dihydroindol-1-yl)-2-(2-phenylanilino)ethanone
CID 42067940
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone (CID 54827531) is 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone is CCOCCOc1ccccc1NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone?
The InChIKey is BHNYSMLPIOFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-24-13-14-25-19-10-6-4-8-17(19)21-15-20(23)22-12-11-16-7-3-5-9-18(16)22/h3-10,21H,2,11-15H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone is sourced from PubChem (CID 54827531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).