N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide

C20H22N2O3 — CID 108967277

IUPACN-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C20H22N2O3/c1-13-8-5-6-11-17(13)22-19(25)20(3,4)18(24)21-16-10-7-9-15(12-16)14(2)23/h5-12H,1-4H3,(H,21,24)(H,22,25)
InChIKeyVSXCNPHVGVUNHU-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.80
Rot. Bonds5

About N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide

N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide (PubChem CID 108967277) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
PubChem CID108967277
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C)c1
InChIInChI=1S/C20H22N2O3/c1-13-8-5-6-11-17(13)22-19(25)20(3,4)18(24)21-16-10-7-9-15(12-16)14(2)23/h5-12H,1-4H3,(H,21,24)(H,22,25)
InChIKeyVSXCNPHVGVUNHU-UHFFFAOYSA-N
XLogP3.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
methyl 3-[[3-(2-methoxyanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969318
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108968157
N-(3-acetylphenyl)-N'-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanediamide
CID 108969732
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
1-(2-methylphenyl)-3-[3-[(2-methylphenyl)carbamoylamino]phenyl]urea
CID 1110848
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
The IUPAC name of N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide (CID 108967277) is N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
The canonical SMILES for N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide is CC(=O)c1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
The InChIKey is VSXCNPHVGVUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-8-5-6-11-17(13)22-19(25)20(3,4)18(24)21-16-10-7-9-15(12-16)14(2)23/h5-12H,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide?
N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide has a molecular weight of 338.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108967277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).