N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide

C19H16N4O2 — CID 108970151

IUPACN,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1C#N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H16N4O2/c1-19(2,17(24)22-15-9-5-3-7-13(15)11-20)18(25)23-16-10-6-4-8-14(16)12-21/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyUBGRRZFKINXEPS-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.03
Rot. Bonds4

About N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide

N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide (PubChem CID 108970151) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
PubChem CID108970151
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1ccccc1C#N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C19H16N4O2/c1-19(2,17(24)22-15-9-5-3-7-13(15)11-20)18(25)23-16-10-6-4-8-14(16)12-21/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyUBGRRZFKINXEPS-UHFFFAOYSA-N
XLogP3.03
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide 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-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
N-(2-cyanophenyl)-2-hydroxy-2-methylbutanamide
CID 155930374
N-(2-cyanophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969671
N-(2-cyanophenyl)-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962648
N-(2-cyanophenyl)-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959798
N-(3-chloro-4-fluorophenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969217
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
N-(3-chloro-4-methoxyphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969258
N'-tert-butyl-N-(2-cyanophenyl)oxamide
CID 44997713
(2-cyanophenyl)urea
CID 13155570

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide (CID 108970151) is N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1ccccc1C#N)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide?
The InChIKey is UBGRRZFKINXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-19(2,17(24)22-15-9-5-3-7-13(15)11-20)18(25)23-16-10-6-4-8-14(16)12-21/h3-10H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide?
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide has a molecular weight of 332.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108970151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).