1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone

C21H24N2O3 — CID 54821154

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
SMILESO=C(CNc1ccc(OCC2CCCO2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O3/c24-21(23-12-11-16-4-1-2-6-20(16)23)14-22-17-7-9-18(10-8-17)26-15-19-5-3-13-25-19/h1-2,4,6-10,19,22H,3,5,11-15H2
InChIKeyKWUJGBAUYOHOIV-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.25
Rot. Bonds6

About 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone (PubChem CID 54821154) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
PubChem CID54821154
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone
SMILESO=C(CNc1ccc(OCC2CCCO2)cc1)N1CCc2ccccc21
InChIInChI=1S/C21H24N2O3/c24-21(23-12-11-16-4-1-2-6-20(16)23)14-22-17-7-9-18(10-8-17)26-15-19-5-3-13-25-19/h1-2,4,6-10,19,22H,3,5,11-15H2
InChIKeyKWUJGBAUYOHOIV-UHFFFAOYSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethoxy)phenyl]methanone
CID 18103454
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-heptoxyanilino)ethanone
CID 54822111
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 54835226
N-tert-butyl-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821618
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone (CID 54821154) is 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone is O=C(CNc1ccc(OCC2CCCO2)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone?
The InChIKey is KWUJGBAUYOHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-21(23-12-11-16-4-1-2-6-20(16)23)14-22-17-7-9-18(10-8-17)26-15-19-5-3-13-25-19/h1-2,4,6-10,19,22H,3,5,11-15H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-(oxolan-2-ylmethoxy)anilino]ethanone has a molecular weight of 352.43 g/mol, XLogP of 3.25, 6 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-[4-(oxolan-2-ylmethoxy)anilino]ethanone is sourced from PubChem (CID 54821154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).