3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one

C16H24N2O2 — CID 63369732

IUPAC3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one
SMILESCCCCC(CC)COc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C16H24N2O2/c1-3-5-6-11(4-2)10-20-12-7-8-13-14(9-12)18-16(19)15(13)17/h7-9,11,15H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyNEGGCNONFUIQAH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.23
Rot. Bonds7

About 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one

3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one (PubChem CID 63369732) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one
PubChem CID63369732
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one
SMILESCCCCC(CC)COc1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C16H24N2O2/c1-3-5-6-11(4-2)10-20-12-7-8-13-14(9-12)18-16(19)15(13)17/h7-9,11,15H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyNEGGCNONFUIQAH-UHFFFAOYSA-N
XLogP3.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
3-amino-6-(2-ethoxyphenoxy)-1,3-dihydroindol-2-one
CID 63370491
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
6-hexoxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 63369687
4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
CID 83002625
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
[2-(2-ethylhexoxy)-4-propoxyphenyl]methanamine
CID 63498813
6-[4-(2-ethylhexoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 22363294

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one (CID 63369732) is 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one is CCCCC(CC)COc1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one?
The InChIKey is NEGGCNONFUIQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-6-11(4-2)10-20-12-7-8-13-14(9-12)18-16(19)15(13)17/h7-9,11,15H,3-6,10,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one?
3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one has a molecular weight of 276.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-ethylhexoxy)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).