N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide

C23H28N2O3 — CID 108968637

IUPACN-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-15(26)16-11-13-17(14-12-16)24-20(27)23(5,6)21(28)25-19-10-8-7-9-18(19)22(2,3)4/h7-14H,1-6H3,(H,24,27)(H,25,28)
InChIKeyIKQRYQRBPGYBFS-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.79
Rot. Bonds5

About N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide

N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968637) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968637
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-15(26)16-11-13-17(14-12-16)24-20(27)23(5,6)21(28)25-19-10-8-7-9-18(19)22(2,3)4/h7-14H,1-6H3,(H,24,27)(H,25,28)
InChIKeyIKQRYQRBPGYBFS-UHFFFAOYSA-N
XLogP4.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.79
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-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967447
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
2-(4-acetylanilino)-N-(2-tert-butylphenyl)acetamide
CID 30534468
N-(2-tert-butylphenyl)-N'-(3,4-difluorophenyl)-2,2-dimethylpropanediamide
CID 108968655
3-(2-tert-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821778
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
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-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
N-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide (CID 108968637) is N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is IKQRYQRBPGYBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(26)16-11-13-17(14-12-16)24-20(27)23(5,6)21(28)25-19-10-8-7-9-18(19)22(2,3)4/h7-14H,1-6H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 380.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).