N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

C19H19N3O2 — CID 108967421

IUPACN-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C19H19N3O2/c1-13-7-6-9-15(11-13)21-17(23)19(2,3)18(24)22-16-10-5-4-8-14(16)12-20/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyJKKHSCHRGBEWGZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.47
Rot. Bonds4

About N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108967421) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108967421
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C19H19N3O2/c1-13-7-6-9-15(11-13)21-17(23)19(2,3)18(24)22-16-10-5-4-8-14(16)12-20/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyJKKHSCHRGBEWGZ-UHFFFAOYSA-N
XLogP3.47
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
3-N-(2-cyanophenyl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056947
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N-(2-cyanophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969671
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343
methyl 2-[[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108967382
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967416
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969258
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967412

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (CID 108967421) is N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is Cc1cccc(NC(=O)C(C)(C)C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is JKKHSCHRGBEWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-7-6-9-15(11-13)21-17(23)19(2,3)18(24)22-16-10-5-4-8-14(16)12-20/h4-11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 321.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108967421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).