1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione

C24H21N3O4 — CID 154639214

IUPAC1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione
SMILESCC(=O)c1cccc2c1ccn2C(=O)C(=O)n1cc(N(C)C)c2c(C(C)=O)cccc21
InChIInChI=1S/C24H21N3O4/c1-14(28)16-7-5-9-19-18(16)11-12-26(19)23(30)24(31)27-13-21(25(3)4)22-17(15(2)29)8-6-10-20(22)27/h5-13H,1-4H3
InChIKeyTYTSMPDBEZOGCB-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.05
Rot. Bonds3

About 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione

1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione (PubChem CID 154639214) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione
PubChem CID154639214
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione
SMILESCC(=O)c1cccc2c1ccn2C(=O)C(=O)n1cc(N(C)C)c2c(C(C)=O)cccc21
InChIInChI=1S/C24H21N3O4/c1-14(28)16-7-5-9-19-18(16)11-12-26(19)23(30)24(31)27-13-21(25(3)4)22-17(15(2)29)8-6-10-20(22)27/h5-13H,1-4H3
InChIKeyTYTSMPDBEZOGCB-UHFFFAOYSA-N
XLogP4.05
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[8-acetyl-4-[fluoro(methyl)amino]naphthalen-1-yl]ethanone
CID 155402481
tert-butyl 3-acetylindole-1-carboxylate
CID 14593498
1-(1-acetyl-4-fluoroindol-3-yl)ethanone
CID 141379951
1-(4-hydroxy-1-methylindol-3-yl)ethanone
CID 82655872
tert-butyl 4-(1-aminoethenyl)indole-1-carboxylate
CID 89045891
1-(1,4-dimethylindol-3-yl)ethanone
CID 82655711
1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone
CID 178000632
1-(4-propan-2-ylindol-1-yl)ethanone
CID 130210312
1-[1-(cyclohexanecarbonyl)indol-3-yl]ethanone
CID 3715013
(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
(Z)-3-(3-acetylindol-1-yl)-4-phenylbut-3-en-2-one
CID 178067986
1-(1-acetylindol-3-yl)-2,2,2-trifluoroethanone
CID 2174852

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione (CID 154639214) is 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione is CC(=O)c1cccc2c1ccn2C(=O)C(=O)n1cc(N(C)C)c2c(C(C)=O)cccc21.
What is the InChIKey of 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione?
The InChIKey is TYTSMPDBEZOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-14(28)16-7-5-9-19-18(16)11-12-26(19)23(30)24(31)27-13-21(25(3)4)22-17(15(2)29)8-6-10-20(22)27/h5-13H,1-4H3.
What are the key properties of 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione?
1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione has a molecular weight of 415.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-3-(dimethylamino)indol-1-yl]-2-(4-acetylindol-1-yl)ethane-1,2-dione is sourced from PubChem (CID 154639214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).