N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide

C21H22N2O2 — CID 955323

IUPACN-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2ccccc12
InChIInChI=1S/C21H22N2O2/c1-4-20(24)17-12-23(19-8-6-5-7-16(17)19)13-21(25)22-18-11-14(2)9-10-15(18)3/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyOILYBAQGZJLRGB-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.49
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide

N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide (PubChem CID 955323) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide
PubChem CID955323
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide
SMILESCCC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2ccccc12
InChIInChI=1S/C21H22N2O2/c1-4-20(24)17-12-23(19-8-6-5-7-16(17)19)13-21(25)22-18-11-14(2)9-10-15(18)3/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyOILYBAQGZJLRGB-UHFFFAOYSA-N
XLogP4.49
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide (CID 955323) is N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide is CCC(=O)c1cn(CC(=O)Nc2cc(C)ccc2C)c2ccccc12.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide?
The InChIKey is OILYBAQGZJLRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-20(24)17-12-23(19-8-6-5-7-16(17)19)13-21(25)22-18-11-14(2)9-10-15(18)3/h5-12H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(3-propanoylindol-1-yl)acetamide is sourced from PubChem (CID 955323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).