5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one

C14H20N2O2 — CID 114990098

IUPAC5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NC(CC)CO)C(=O)N2
InChIInChI=1S/C14H20N2O2/c1-3-9-5-6-12-11(7-9)13(14(18)16-12)15-10(4-2)8-17/h5-7,10,13,15,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyZFUGQHWVLFFXCH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds5

About 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one

5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one (PubChem CID 114990098) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one
PubChem CID114990098
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NC(CC)CO)C(=O)N2
InChIInChI=1S/C14H20N2O2/c1-3-9-5-6-12-11(7-9)13(14(18)16-12)15-10(4-2)8-17/h5-7,10,13,15,17H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyZFUGQHWVLFFXCH-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one (CID 114990098) is 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one is CCc1ccc2c(c1)C(NC(CC)CO)C(=O)N2.
What is the InChIKey of 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one?
The InChIKey is ZFUGQHWVLFFXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9-5-6-12-11(7-9)13(14(18)16-12)15-10(4-2)8-17/h5-7,10,13,15,17H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one?
5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1-hydroxybutan-2-ylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114990098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).