N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide

C19H19N3O3 — CID 108969446

IUPACN-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-19(2,17(23)21-14-6-4-13(12-20)5-7-14)18(24)22-15-8-10-16(25-3)11-9-15/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBDRHHEYSJBAXTB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.17
Rot. Bonds5

About N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide

N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide (PubChem CID 108969446) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
PubChem CID108969446
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
SMILESCOc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-19(2,17(23)21-14-6-4-13(12-20)5-7-14)18(24)22-15-8-10-16(25-3)11-9-15/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBDRHHEYSJBAXTB-UHFFFAOYSA-N
XLogP3.17
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.17
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-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968519
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N-[4-(dimethylamino)phenyl]-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969421
N-(2,5-dimethoxyphenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969408
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
N-(4-cyanophenyl)-2,2-difluoropropanamide
CID 142563454
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
N-(4-cyanophenyl)-2,2-dimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108970171
N-cyclopropyl-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108957499
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide (CID 108969446) is N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide is COc1ccc(NC(=O)C(C)(C)C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
The InChIKey is BDRHHEYSJBAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-19(2,17(23)21-14-6-4-13(12-20)5-7-14)18(24)22-15-8-10-16(25-3)11-9-15/h4-11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide?
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide has a molecular weight of 337.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108969446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).