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

C21H24N2O3 — CID 108967830

IUPACN-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H24N2O3/c1-13-6-11-18(14(2)12-13)23-20(26)21(4,5)19(25)22-17-9-7-16(8-10-17)15(3)24/h6-12H,1-5H3,(H,22,25)(H,23,26)
InChIKeyMIFJCOWYINHKEL-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.11
Rot. Bonds5

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

N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108967830) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108967830
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H24N2O3/c1-13-6-11-18(14(2)12-13)23-20(26)21(4,5)19(25)22-17-9-7-16(8-10-17)15(3)24/h6-12H,1-5H3,(H,22,25)(H,23,26)
InChIKeyMIFJCOWYINHKEL-UHFFFAOYSA-N
XLogP4.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.11
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

methyl 4-[[3-(2,4-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967835
N-(3-chloro-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810
1-N-(4-acetylphenyl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057157
N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
1-N-(4-acetylphenyl)-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981261
N-(1,3-benzodioxol-5-yl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967844
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
N-(4-acetylphenyl)-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108969771
N-(4-acetylphenyl)-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968875
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108967830) is N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is MIFJCOWYINHKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13-6-11-18(14(2)12-13)23-20(26)21(4,5)19(25)22-17-9-7-16(8-10-17)15(3)24/h6-12H,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 352.43 g/mol, XLogP of 4.11, 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'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108967830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).