5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one

C15H22N2O — CID 114999748

IUPAC5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NCC(C)CC)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-4-10(3)9-16-14-12-8-11(5-2)6-7-13(12)17-15(14)18/h6-8,10,14,16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyMYCVEIDMVSOJGM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.88
Rot. Bonds5

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

5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one (PubChem CID 114999748) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
PubChem CID114999748
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one
SMILESCCc1ccc2c(c1)C(NCC(C)CC)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-4-10(3)9-16-14-12-8-11(5-2)6-7-13(12)17-15(14)18/h6-8,10,14,16H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyMYCVEIDMVSOJGM-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one (CID 114999748) is 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one is CCc1ccc2c(c1)C(NCC(C)CC)C(=O)N2.
What is the InChIKey of 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
The InChIKey is MYCVEIDMVSOJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-10(3)9-16-14-12-8-11(5-2)6-7-13(12)17-15(14)18/h6-8,10,14,16H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one?
5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methylbutylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 114999748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).