6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

C16H23N3O2 — CID 43586839

IUPAC6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CC(C)OCC3C)ccc21
InChIInChI=1S/C16H23N3O2/c1-4-17-15-13-6-5-12(7-14(13)18-16(15)20)19-8-11(3)21-9-10(19)2/h5-7,10-11,15,17H,4,8-9H2,1-3H3,(H,18,20)
InChIKeyHFGKEFDNMUNPAZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.90
Rot. Bonds3

About 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one

6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (PubChem CID 43586839) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
PubChem CID43586839
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one
SMILESCCNC1C(=O)Nc2cc(N3CC(C)OCC3C)ccc21
InChIInChI=1S/C16H23N3O2/c1-4-17-15-13-6-5-12(7-14(13)18-16(15)20)19-8-11(3)21-9-10(19)2/h5-7,10-11,15,17H,4,8-9H2,1-3H3,(H,18,20)
InChIKeyHFGKEFDNMUNPAZ-UHFFFAOYSA-N
XLogP1.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one (CID 43586839) is 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is CCNC1C(=O)Nc2cc(N3CC(C)OCC3C)ccc21.
What is the InChIKey of 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
The InChIKey is HFGKEFDNMUNPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-17-15-13-6-5-12(7-14(13)18-16(15)20)19-8-11(3)21-9-10(19)2/h5-7,10-11,15,17H,4,8-9H2,1-3H3,(H,18,20).
What are the key properties of 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one?
6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylmorpholin-4-yl)-3-(ethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43586839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).