N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide

C21H22N2O4 — CID 108969722

IUPACN-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H22N2O4/c1-13(24)15-8-10-17(11-9-15)22-19(26)21(3,4)20(27)23-18-7-5-6-16(12-18)14(2)25/h5-12H,1-4H3,(H,22,26)(H,23,27)
InChIKeyAAOOZWZXTIGYKZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.70
Rot. Bonds6

About N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide

N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969722) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
PubChem CID108969722
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C21H22N2O4/c1-13(24)15-8-10-17(11-9-15)22-19(26)21(3,4)20(27)23-18-7-5-6-16(12-18)14(2)25/h5-12H,1-4H3,(H,22,26)(H,23,27)
InChIKeyAAOOZWZXTIGYKZ-UHFFFAOYSA-N
XLogP3.70
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967277
N-(3-acetylphenyl)-N'-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanediamide
CID 108969732
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758
N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957314
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
N-(3-acetylphenyl)-3-amino-2,2-dimethylpropanamide
CID 81484636
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
N-(4-acetylphenyl)-2-hydroxy-2,2-diphenylacetamide
CID 12522226
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide (CID 108969722) is N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is AAOOZWZXTIGYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13(24)15-8-10-17(11-9-15)22-19(26)21(3,4)20(27)23-18-7-5-6-16(12-18)14(2)25/h5-12H,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide?
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 366.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).