3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C15H22N2O2 — CID 109015312

IUPAC3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOCCNCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C15H22N2O2/c1-12-11-13-5-3-4-6-14(13)17(12)15(18)7-8-16-9-10-19-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyOKAHKYIYGZPAFL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.59
Rot. Bonds6

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

3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 109015312) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID109015312
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOCCNCCC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C15H22N2O2/c1-12-11-13-5-3-4-6-14(13)17(12)15(18)7-8-16-9-10-19-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyOKAHKYIYGZPAFL-UHFFFAOYSA-N
XLogP1.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.59
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

3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
N-(2-methoxyethyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113117047
methyl 2-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041361
methyl 4-[[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109041537
3-[2-(2,4-dichlorophenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109033489
4-bromo-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 42905957
tert-butyl N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]carbamate
CID 51217085
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-propan-2-yloxyanilino)propan-1-one
CID 109040290
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(trifluoromethyl)anilino]propan-1-one
CID 109040861
1-(2-methyl-2,3-dihydroindol-1-yl)-3-(2-propan-2-ylanilino)propan-1-one
CID 109036822

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 109015312) is 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is COCCNCCC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is OKAHKYIYGZPAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-13-5-3-4-6-14(13)17(12)15(18)7-8-16-9-10-19-2/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 109015312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).