5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one

C17H18N2O — CID 43194106

IUPAC5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NCCc1ccccc1)C(=O)N2
InChIInChI=1S/C17H18N2O/c1-12-7-8-15-14(11-12)16(17(20)19-15)18-10-9-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10H2,1H3,(H,19,20)
InChIKeyCTFHZXVZTOETDK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.82
Rot. Bonds4

About 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one

5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one (PubChem CID 43194106) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
PubChem CID43194106
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
SMILESCc1ccc2c(c1)C(NCCc1ccccc1)C(=O)N2
InChIInChI=1S/C17H18N2O/c1-12-7-8-15-14(11-12)16(17(20)19-15)18-10-9-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10H2,1H3,(H,19,20)
InChIKeyCTFHZXVZTOETDK-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one (CID 43194106) is 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one is Cc1ccc2c(c1)C(NCCc1ccccc1)C(=O)N2.
What is the InChIKey of 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one?
The InChIKey is CTFHZXVZTOETDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-7-8-15-14(11-12)16(17(20)19-15)18-10-9-13-5-3-2-4-6-13/h2-8,11,16,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one?
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 43194106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).