N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

C21H26N2O2 — CID 108967996

IUPACN-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H26N2O2/c1-13-10-14(2)12-17(11-13)22-19(24)21(5,6)20(25)23-18-15(3)8-7-9-16(18)4/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyANANZXQSKIIZKS-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.52
Rot. Bonds4

About N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide

N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108967996) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108967996
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H26N2O2/c1-13-10-14(2)12-17(11-13)22-19(24)21(5,6)20(25)23-18-15(3)8-7-9-16(18)4/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeyANANZXQSKIIZKS-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.52
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-(3-bromophenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968044
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124
N-(3-chlorophenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968527
N-(3,5-dimethylphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961727
N-(3-chloro-4-methylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968011
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968103
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
N-(4-methoxyphenyl)-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108968533
N-(2,6-dimethylphenyl)-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108962017
3-amino-N-(2,6-dimethylphenyl)-2,2,3-trimethylbutanamide
CID 65264581
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108967996) is N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is Cc1cc(C)cc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is ANANZXQSKIIZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-13-10-14(2)12-17(11-13)22-19(24)21(5,6)20(25)23-18-15(3)8-7-9-16(18)4/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108967996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).