N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide

C22H25N3O2 — CID 108968587

IUPACN-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H25N3O2/c1-5-16-10-8-11-17(6-2)19(16)25-21(27)22(3,4)20(26)24-18-12-7-9-15(13-18)14-23/h7-13H,5-6H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBEFYWTITKIHPDZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.29
Rot. Bonds6

About N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide

N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968587) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968587
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1cccc(CC)c1NC(=O)C(C)(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C22H25N3O2/c1-5-16-10-8-11-17(6-2)19(16)25-21(27)22(3,4)20(26)24-18-12-7-9-15(13-18)14-23/h7-13H,5-6H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyBEFYWTITKIHPDZ-UHFFFAOYSA-N
XLogP4.29
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
N-(3-cyanophenyl)-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964248
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N-[2-(3-chlorophenyl)ethyl]-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108966987
1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 43501248

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide (CID 108968587) is N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide is CCc1cccc(CC)c1NC(=O)C(C)(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is BEFYWTITKIHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-16-10-8-11-17(6-2)19(16)25-21(27)22(3,4)20(26)24-18-12-7-9-15(13-18)14-23/h7-13H,5-6H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide?
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 363.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).