N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide

C22H28N2O2 — CID 108967447

IUPACN-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15-11-13-16(14-12-15)23-19(25)22(5,6)20(26)24-18-10-8-7-9-17(18)21(2,3)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeySNNQBJSNPOZFAJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.90
Rot. Bonds4

About N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide

N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (PubChem CID 108967447) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
PubChem CID108967447
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-15-11-13-16(14-12-15)23-19(25)22(5,6)20(26)24-18-10-8-7-9-17(18)21(2,3)4/h7-14H,1-6H3,(H,23,25)(H,24,26)
InChIKeySNNQBJSNPOZFAJ-UHFFFAOYSA-N
XLogP4.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108968637
1-(2-tert-butylphenyl)-3-(4-methylphenyl)urea
CID 841120
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
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-butyl-N'-(2-tert-butylphenyl)-2,2-dimethylpropanediamide
CID 108957871
N-(4-cyanophenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108969688
2,2-dimethyl-N-(4-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957263
N'-(2-fluorophenyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108967144
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968225
N-(3-chlorophenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide
CID 108967452

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The IUPAC name of N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide (CID 108967447) is N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
The InChIKey is SNNQBJSNPOZFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-11-13-16(14-12-15)23-19(25)22(5,6)20(26)24-18-10-8-7-9-17(18)21(2,3)4/h7-14H,1-6H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide?
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2,2-dimethyl-N'-(4-methylphenyl)propanediamide is sourced from PubChem (CID 108967447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).