3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one

C16H23NO2 — CID 134860660

IUPAC3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one
SMILESCCOC(C)CC1(C)C(=O)N(C)c2ccc(C)cc21
InChIInChI=1S/C16H23NO2/c1-6-19-12(3)10-16(4)13-9-11(2)7-8-14(13)17(5)15(16)18/h7-9,12H,6,10H2,1-5H3
InChIKeyQACLMESKYHEULS-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.04
Rot. Bonds4

About 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one

3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one (PubChem CID 134860660) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one.

Molecular Properties

Compound Name3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one
PubChem CID134860660
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one
SMILESCCOC(C)CC1(C)C(=O)N(C)c2ccc(C)cc21
InChIInChI=1S/C16H23NO2/c1-6-19-12(3)10-16(4)13-9-11(2)7-8-14(13)17(5)15(16)18/h7-9,12H,6,10H2,1-5H3
InChIKeyQACLMESKYHEULS-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one?
The IUPAC name of 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one (CID 134860660) is 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one.
What is the SMILES notation for 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one?
The canonical SMILES for 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one is CCOC(C)CC1(C)C(=O)N(C)c2ccc(C)cc21.
What is the InChIKey of 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one?
The InChIKey is QACLMESKYHEULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-19-12(3)10-16(4)13-9-11(2)7-8-14(13)17(5)15(16)18/h7-9,12H,6,10H2,1-5H3.
What are the key properties of 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one?
3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one has a molecular weight of 261.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypropyl)-1,3,5-trimethylindol-2-one is sourced from PubChem (CID 134860660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).