N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide

C21H26N2O4 — CID 108967959

IUPACN-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-13-7-8-15(11-14(13)2)22-19(24)21(3,4)20(25)23-17-10-9-16(26-5)12-18(17)27-6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeySMMIBPBEZDDTIS-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.92
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide

N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108967959) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108967959
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C21H26N2O4/c1-13-7-8-15(11-14(13)2)22-19(24)21(3,4)20(25)23-17-10-9-16(26-5)12-18(17)27-6/h7-12H,1-6H3,(H,22,24)(H,23,25)
InChIKeySMMIBPBEZDDTIS-UHFFFAOYSA-N
XLogP3.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967373
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
N-(3,4-dimethylphenyl)-N'-[2-(4-methoxyphenoxy)ethyl]-2,2-dimethylpropanediamide
CID 108965903
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-[(2-methylphenyl)methyl]propanediamide
CID 108961763
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962967
N-(2,4-dimethoxyphenyl)-2,2-diphenylpropanamide
CID 98656477
N-(3,4-dimethoxyphenyl)-N'-(2-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969309

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108967959) is N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C)c(C)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is SMMIBPBEZDDTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13-7-8-15(11-14(13)2)22-19(24)21(3,4)20(25)23-17-10-9-16(26-5)12-18(17)27-6/h7-12H,1-6H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide?
N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 370.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108967959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).