1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one

C14H20N2O2 — CID 83213346

IUPAC1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
SMILESCCOCCC(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C14H20N2O2/c1-3-18-7-5-14(17)16-6-4-11-8-10(2)12(15)9-13(11)16/h8-9H,3-7,15H2,1-2H3
InChIKeyJAQOFSGNJVFNMO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.89
Rot. Bonds4

About 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one

1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one (PubChem CID 83213346) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one.

Molecular Properties

Compound Name1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
PubChem CID83213346
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
SMILESCCOCCC(=O)N1CCc2cc(C)c(N)cc21
InChIInChI=1S/C14H20N2O2/c1-3-18-7-5-14(17)16-6-4-11-8-10(2)12(15)9-13(11)16/h8-9H,3-7,15H2,1-2H3
InChIKeyJAQOFSGNJVFNMO-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one
CID 55091499
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-methylsulfanylethanone
CID 83213519
1-(6-amino-2,3-dihydroindol-1-yl)-4-ethoxybutan-1-one
CID 78984493
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
CID 83212360
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
CID 83210065
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 83211587
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 83210635
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 83212443
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)acetamide
CID 83213541
3-(6-amino-5-methyl-2,3-dihydroindol-1-yl)propanamide
CID 83212549
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 83212525

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one?
The IUPAC name of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one (CID 83213346) is 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one.
What is the SMILES notation for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one?
The canonical SMILES for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one is CCOCCC(=O)N1CCc2cc(C)c(N)cc21.
What is the InChIKey of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one?
The InChIKey is JAQOFSGNJVFNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-7-5-14(17)16-6-4-11-8-10(2)12(15)9-13(11)16/h8-9H,3-7,15H2,1-2H3.
What are the key properties of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one?
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-3-ethoxypropan-1-one is sourced from PubChem (CID 83213346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).