1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one

C18H20N2O2 — CID 109034751

IUPAC1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
SMILESCOc1cccc(NCCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-22-16-7-4-6-15(13-16)19-11-9-18(21)20-12-10-14-5-2-3-8-17(14)20/h2-8,13,19H,9-12H2,1H3
InChIKeyQJWMASBLKYKXED-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.09
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one (PubChem CID 109034751) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
PubChem CID109034751
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
SMILESCOc1cccc(NCCC(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C18H20N2O2/c1-22-16-7-4-6-15(13-16)19-11-9-18(21)20-12-10-14-5-2-3-8-17(14)20/h2-8,13,19H,9-12H2,1H3
InChIKeyQJWMASBLKYKXED-UHFFFAOYSA-N
XLogP3.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
CID 109025652
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
1-(2,3-dihydroindol-1-yl)-2-(3-propoxyanilino)ethanone
CID 54825093
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128955
2-(3-butoxyanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 54823310
3-(2,3-dihydroindol-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108948672
4-[3-(3-methoxyanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017872
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one (CID 109034751) is 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one is COc1cccc(NCCC(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one?
The InChIKey is QJWMASBLKYKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-22-16-7-4-6-15(13-16)19-11-9-18(21)20-12-10-14-5-2-3-8-17(14)20/h2-8,13,19H,9-12H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one has a molecular weight of 296.37 g/mol, XLogP of 3.09, 5 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)-3-(3-methoxyanilino)propan-1-one is sourced from PubChem (CID 109034751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).