N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide

C20H20N2O2 — CID 84552820

IUPACN-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)n2ccc3ccccc32)c1
InChIInChI=1S/C20H20N2O2/c1-14-7-8-15(2)17(13-14)21-19(23)9-10-20(24)22-12-11-16-5-3-4-6-18(16)22/h3-8,11-13H,9-10H2,1-2H3,(H,21,23)
InChIKeyYNWAJDWZIOYNOF-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.32
Rot. Bonds4

About N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide

N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide (PubChem CID 84552820) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
PubChem CID84552820
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)n2ccc3ccccc32)c1
InChIInChI=1S/C20H20N2O2/c1-14-7-8-15(2)17(13-14)21-19(23)9-10-20(24)22-12-11-16-5-3-4-6-18(16)22/h3-8,11-13H,9-10H2,1-2H3,(H,21,23)
InChIKeyYNWAJDWZIOYNOF-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-indol-1-yl-4-oxo-N-(2,4,5-trichlorophenyl)butanamide
CID 84553059
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
4-indol-1-yl-4-oxo-N-(2-phenoxyphenyl)butanamide
CID 84552848
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
4-indol-1-yl-N-(3-methylsulfanylphenyl)-4-oxobutanamide
CID 84553091
N-(4-chloro-2-nitrophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84553097
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
4-indol-1-yl-4-oxo-N-(2H-tetrazol-5-yl)butanamide
CID 84553199
2-[(4-indol-1-yl-4-oxobutanoyl)amino]pentanoic acid
CID 84556826
4-indol-1-yl-4-oxobutanamide
CID 84553197
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide (CID 84552820) is N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide is Cc1ccc(C)c(NC(=O)CCC(=O)n2ccc3ccccc32)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide?
The InChIKey is YNWAJDWZIOYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-7-8-15(2)17(13-14)21-19(23)9-10-20(24)22-12-11-16-5-3-4-6-18(16)22/h3-8,11-13H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide?
N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide has a molecular weight of 320.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-indol-1-yl-4-oxobutanamide is sourced from PubChem (CID 84552820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).