N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide

C19H16N4O2 — CID 108970159

IUPACN,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1cccc(C#N)c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H16N4O2/c1-19(2,17(24)22-15-7-3-5-13(9-15)11-20)18(25)23-16-8-4-6-14(10-16)12-21/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPRNWFHYLPDFRDA-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.03
Rot. Bonds4

About N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide

N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide (PubChem CID 108970159) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
PubChem CID108970159
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)Nc1cccc(C#N)c1)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H16N4O2/c1-19(2,17(24)22-15-7-3-5-13(9-15)11-20)18(25)23-16-8-4-6-14(10-16)12-21/h3-10H,1-2H3,(H,22,24)(H,23,25)
InChIKeyPRNWFHYLPDFRDA-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'}

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Related Compounds

3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
N-(3-cyanophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964248
N-[2-(3-chlorophenyl)ethyl]-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108966987
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
S-methyl N-(3-cyanophenyl)carbamothioate
CID 134122988

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide (CID 108970159) is N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)Nc1cccc(C#N)c1)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide?
The InChIKey is PRNWFHYLPDFRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-19(2,17(24)22-15-7-3-5-13(9-15)11-20)18(25)23-16-8-4-6-14(10-16)12-21/h3-10H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide?
N,N'-bis(3-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(3-cyanophenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108970159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).