2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide

C20H20N2O2 — CID 1088560

IUPAC2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-13-8-9-16(10-14(13)2)21-20(24)12-22-11-18(15(3)23)17-6-4-5-7-19(17)22/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyVJLONGAKINUBAA-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide

2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 1088560) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID1088560
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12
InChIInChI=1S/C20H20N2O2/c1-13-8-9-16(10-14(13)2)21-20(24)12-22-11-18(15(3)23)17-6-4-5-7-19(17)22/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeyVJLONGAKINUBAA-UHFFFAOYSA-N
XLogP4.10
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(R,S)-AM1241
CID 10141893
AM-694
CID 9889172
LY-517717
CID 9939865
AM-1220, (+-)-
CID 9929889
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CID 10226340
CP-409092
CID 9839190
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CID 12802

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide (CID 1088560) is 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide is CC(=O)c1cn(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is VJLONGAKINUBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-8-9-16(10-14(13)2)21-20(24)12-22-11-18(15(3)23)17-6-4-5-7-19(17)22/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 1088560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).