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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Indoramin
CID 33625
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
(1-pentyl-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone
CID 44626619
(R,S)-AM1241
CID 10141893
Indibulin
CID 2929
AM-694
CID 9889172
LY-517717
CID 9939865
AM-1220, (+-)-
CID 9929889
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340

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).