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

C20H24N2O2 — CID 54827804

IUPAC2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCCCCOc1ccccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-2-3-14-24-19-11-7-5-9-17(19)21-15-20(23)22-13-12-16-8-4-6-10-18(16)22/h4-11,21H,2-3,12-15H2,1H3
InChIKeyOKVFYIOJMIBMTJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.87
Rot. Bonds7

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

2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 54827804) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID54827804
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
SMILESCCCCOc1ccccc1NCC(=O)N1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-2-3-14-24-19-11-7-5-9-17(19)21-15-20(23)22-13-12-16-8-4-6-10-18(16)22/h4-11,21H,2-3,12-15H2,1H3
InChIKeyOKVFYIOJMIBMTJ-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[2-(2-ethoxyethoxy)anilino]ethanone
CID 54827531
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
3-(2,3-dihydroindol-1-yl)-3-oxo-N-(2-tetradecoxyphenyl)propanamide
CID 23522461
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
2-(2-bromoanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 42069057
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
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
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-methoxyphenyl)urea
CID 46383478

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone (CID 54827804) is 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone is CCCCOc1ccccc1NCC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is OKVFYIOJMIBMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-3-14-24-19-11-7-5-9-17(19)21-15-20(23)22-13-12-16-8-4-6-10-18(16)22/h4-11,21H,2-3,12-15H2,1H3.
What are the key properties of 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone?
2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 324.42 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 54827804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).