N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

C21H26N2O2 — CID 108962017

IUPACN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-14-9-11-17(12-10-14)13-22-19(24)21(4,5)20(25)23-18-15(2)7-6-8-16(18)3/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyHADDXTPZOIWYRY-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.89
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108962017) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
PubChem CID108962017
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-14-9-11-17(12-10-14)13-22-19(24)21(4,5)20(25)23-18-15(2)7-6-8-16(18)3/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyHADDXTPZOIWYRY-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.89
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-(2-ethyl-6-methylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962022
N-(2,6-dichlorophenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962082
N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
N-(2-tert-butylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962027
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
N-[(4-chlorophenyl)methyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108962818
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108965125
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
4-N-(2,6-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148166
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (CID 108962017) is N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is Cc1ccc(CNC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is HADDXTPZOIWYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-9-11-17(12-10-14)13-22-19(24)21(4,5)20(25)23-18-15(2)7-6-8-16(18)3/h6-12H,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 338.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108962017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).