N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide

C22H28N2O2 — CID 108967800

IUPACN-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-14(2)17-9-7-8-10-19(17)24-21(26)22(5,6)20(25)23-18-12-11-15(3)13-16(18)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyGPJXSLFXKFRBHD-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.03
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide

N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide (PubChem CID 108967800) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
PubChem CID108967800
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-14(2)17-9-7-8-10-19(17)24-21(26)22(5,6)20(25)23-18-12-11-15(3)13-16(18)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeyGPJXSLFXKFRBHD-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968066
N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide
CID 108966190
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-propylpropanediamide
CID 108957078
N-(2,6-difluorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967857
N-(3-chlorophenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967805
2-hydrazinyl-5-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 62510956
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(5-chloro-2-methoxyphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide
CID 108968437
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108965816
3-amino-N-(2,4-dimethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919314
N-(3-chloro-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide (CID 108967800) is N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
The InChIKey is GPJXSLFXKFRBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-14(2)17-9-7-8-10-19(17)24-21(26)22(5,6)20(25)23-18-12-11-15(3)13-16(18)4/h7-14H,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide?
N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,2-dimethyl-N'-(2-propan-2-ylphenyl)propanediamide is sourced from PubChem (CID 108967800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).