6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one

C15H22N2O2 — CID 63369902

IUPAC6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OC(C)CC)ccc21
InChIInChI=1S/C15H22N2O2/c1-4-8-16-14-12-7-6-11(19-10(3)5-2)9-13(12)17-15(14)18/h6-7,9-10,14,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyCQYAANXKUCJXEB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.86
Rot. Bonds6

About 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one

6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one (PubChem CID 63369902) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one
PubChem CID63369902
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one
SMILESCCCNC1C(=O)Nc2cc(OC(C)CC)ccc21
InChIInChI=1S/C15H22N2O2/c1-4-8-16-14-12-7-6-11(19-10(3)5-2)9-13(12)17-15(14)18/h6-7,9-10,14,16H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyCQYAANXKUCJXEB-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one (CID 63369902) is 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one is CCCNC1C(=O)Nc2cc(OC(C)CC)ccc21.
What is the InChIKey of 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one?
The InChIKey is CQYAANXKUCJXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-8-16-14-12-7-6-11(19-10(3)5-2)9-13(12)17-15(14)18/h6-7,9-10,14,16H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one?
6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-3-(propylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 63369902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).