3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one

C28H32N2O2 — CID 73355530

IUPAC3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one
SMILESCN(C)CCOc1ccc(C(C)(C)C)cc1C1(c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C28H32N2O2/c1-27(2,3)21-15-16-25(32-18-17-30(4)5)23(19-21)28(20-11-7-6-8-12-20)22-13-9-10-14-24(22)29-26(28)31/h6-16,19H,17-18H2,1-5H3,(H,29,31)
InChIKeyONFHKJAAGMXMDK-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.21
Rot. Bonds6

About 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one

3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one (PubChem CID 73355530) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one
PubChem CID73355530
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one
SMILESCN(C)CCOc1ccc(C(C)(C)C)cc1C1(c2ccccc2)C(=O)Nc2ccccc21
InChIInChI=1S/C28H32N2O2/c1-27(2,3)21-15-16-25(32-18-17-30(4)5)23(19-21)28(20-11-7-6-8-12-20)22-13-9-10-14-24(22)29-26(28)31/h6-16,19H,17-18H2,1-5H3,(H,29,31)
InChIKeyONFHKJAAGMXMDK-UHFFFAOYSA-N
XLogP5.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one (CID 73355530) is 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one is CN(C)CCOc1ccc(C(C)(C)C)cc1C1(c2ccccc2)C(=O)Nc2ccccc21.
What is the InChIKey of 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one?
The InChIKey is ONFHKJAAGMXMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-27(2,3)21-15-16-25(32-18-17-30(4)5)23(19-21)28(20-11-7-6-8-12-20)22-13-9-10-14-24(22)29-26(28)31/h6-16,19H,17-18H2,1-5H3,(H,29,31).
What are the key properties of 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one?
3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one has a molecular weight of 428.58 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-2-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 73355530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).