N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide

C14H18N4O2 — CID 108943957

IUPACN'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCN(C)CCNC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H18N4O2/c1-18(2)8-7-16-13(19)9-14(20)17-12-6-4-3-5-11(12)10-15/h3-6H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZZTOULLSHBJKGK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.56
Rot. Bonds6

About N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide

N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide (PubChem CID 108943957) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
PubChem CID108943957
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCN(C)CCNC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C14H18N4O2/c1-18(2)8-7-16-13(19)9-14(20)17-12-6-4-3-5-11(12)10-15/h3-6H,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZZTOULLSHBJKGK-UHFFFAOYSA-N
XLogP0.56
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.56
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

N'-(2-cyanophenyl)-N-pentylpropanediamide
CID 108951989
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944134
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955712
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 2496920
N-(2-cyanophenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 115666891
ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489
methyl N-[2-(2-cyanoanilino)-2-oxoethyl]carbamate
CID 113001850

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The IUPAC name of N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide (CID 108943957) is N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide is CN(C)CCNC(=O)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The InChIKey is ZZTOULLSHBJKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(2)8-7-16-13(19)9-14(20)17-12-6-4-3-5-11(12)10-15/h3-6H,7-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide has a molecular weight of 274.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide is sourced from PubChem (CID 108943957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).