5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione

C25H24N2O3 — CID 52944980

IUPAC5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCN(C)CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-26(2)14-15-30-21-12-13-23-22(16-21)24(28)25(29)27(23)17-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3
InChIKeyJTBGQWWYKCOVRU-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.02
Rot. Bonds7

About 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione

5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (PubChem CID 52944980) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
PubChem CID52944980
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
SMILESCN(C)CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O3/c1-26(2)14-15-30-21-12-13-23-22(16-21)24(28)25(29)27(23)17-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3
InChIKeyJTBGQWWYKCOVRU-UHFFFAOYSA-N
XLogP4.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione (CID 52944980) is 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is CN(C)CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
The InChIKey is JTBGQWWYKCOVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-26(2)14-15-30-21-12-13-23-22(16-21)24(28)25(29)27(23)17-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione?
5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione has a molecular weight of 400.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione is sourced from PubChem (CID 52944980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).