N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide

C20H21N3O2 — CID 108954547

IUPACN-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H21N3O2/c1-3-14-9-7-10-15(4-2)20(14)23-19(25)12-18(24)22-17-11-6-5-8-16(17)13-21/h5-11H,3-4,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDMZTUQTZYWSOMX-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.65
Rot. Bonds6

About N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide

N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide (PubChem CID 108954547) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
PubChem CID108954547
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
SMILESCCc1cccc(CC)c1NC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H21N3O2/c1-3-14-9-7-10-15(4-2)20(14)23-19(25)12-18(24)22-17-11-6-5-8-16(17)13-21/h5-11H,3-4,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyDMZTUQTZYWSOMX-UHFFFAOYSA-N
XLogP3.65
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.65
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'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
(Z)-2-cyano-N-(2-cyanophenyl)-3-(2,6-diethylanilino)prop-2-enamide
CID 108826578
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N-(2-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80740419
ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489
N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide?
The IUPAC name of N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide (CID 108954547) is N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide?
The canonical SMILES for N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide is CCc1cccc(CC)c1NC(=O)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide?
The InChIKey is DMZTUQTZYWSOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-14-9-7-10-15(4-2)20(14)23-19(25)12-18(24)22-17-11-6-5-8-16(17)13-21/h5-11H,3-4,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide?
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide has a molecular weight of 335.41 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide is sourced from PubChem (CID 108954547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).