3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one

C17H18N2O — CID 2803152

IUPAC3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccc(CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H18N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-10,15H,11H2,1-2H3,(H,18,20)
InChIKeyWEKJKJMTUWIENI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.03
Rot. Bonds3

About 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one

3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one (PubChem CID 2803152) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one
PubChem CID2803152
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccc(CC2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H18N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-10,15H,11H2,1-2H3,(H,18,20)
InChIKeyWEKJKJMTUWIENI-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one (CID 2803152) is 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one is CN(C)c1ccc(CC2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
The InChIKey is WEKJKJMTUWIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(2)13-9-7-12(8-10-13)11-15-14-5-3-4-6-16(14)18-17(15)20/h3-10,15H,11H2,1-2H3,(H,18,20).
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one?
3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 2803152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).