3-(2-phenylpropylamino)-1,3-dihydroindol-2-one

C17H18N2O — CID 43204620

IUPAC3-(2-phenylpropylamino)-1,3-dihydroindol-2-one
SMILESCC(CNC1C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(13-7-3-2-4-8-13)11-18-16-14-9-5-6-10-15(14)19-17(16)20/h2-10,12,16,18H,11H2,1H3,(H,19,20)
InChIKeyGFMDOUNKVCVQEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.07
Rot. Bonds4

About 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one

3-(2-phenylpropylamino)-1,3-dihydroindol-2-one (PubChem CID 43204620) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-phenylpropylamino)-1,3-dihydroindol-2-one
PubChem CID43204620
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(2-phenylpropylamino)-1,3-dihydroindol-2-one
SMILESCC(CNC1C(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C17H18N2O/c1-12(13-7-3-2-4-8-13)11-18-16-14-9-5-6-10-15(14)19-17(16)20/h2-10,12,16,18H,11H2,1H3,(H,19,20)
InChIKeyGFMDOUNKVCVQEA-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one (CID 43204620) is 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one is CC(CNC1C(=O)Nc2ccccc21)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one?
The InChIKey is GFMDOUNKVCVQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(13-7-3-2-4-8-13)11-18-16-14-9-5-6-10-15(14)19-17(16)20/h2-10,12,16,18H,11H2,1H3,(H,19,20).
What are the key properties of 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one?
3-(2-phenylpropylamino)-1,3-dihydroindol-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43204620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).