N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide

C18H17N3O3 — CID 108955712

IUPACN-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H17N3O3/c1-2-24-16-10-6-5-9-15(16)21-18(23)11-17(22)20-14-8-4-3-7-13(14)12-19/h3-10H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGLWQKTCAMDJABV-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.92
Rot. Bonds6

About N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide

N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide (PubChem CID 108955712) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
PubChem CID108955712
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide
SMILESCCOc1ccccc1NC(=O)CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C18H17N3O3/c1-2-24-16-10-6-5-9-15(16)21-18(23)11-17(22)20-14-8-4-3-7-13(14)12-19/h3-10H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyGLWQKTCAMDJABV-UHFFFAOYSA-N
XLogP2.92
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.92
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

[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317763
ethyl 3-(2-cyanoanilino)-3-oxopropanoate
CID 14663489
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
2-[(2-cyanophenyl)methylsulfonyl]-N-(2-ethoxyphenyl)acetamide
CID 1412164
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
N-(2-cyanophenyl)-3,4,5-triethoxybenzamide
CID 3256014
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
N-(2-cyanophenyl)-2-(2-methoxyphenoxy)acetamide
CID 922260
N-(4-acetylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955673
CID 174193763
CID 174193763
2-(3-cyanoindol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 46858731

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide?
The IUPAC name of N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide (CID 108955712) is N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide?
The canonical SMILES for N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide is CCOc1ccccc1NC(=O)CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide?
The InChIKey is GLWQKTCAMDJABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-24-16-10-6-5-9-15(16)21-18(23)11-17(22)20-14-8-4-3-7-13(14)12-19/h3-10H,2,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide?
N-(2-cyanophenyl)-N'-(2-ethoxyphenyl)propanediamide has a molecular weight of 323.35 g/mol, XLogP of 2.92, 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-ethoxyphenyl)propanediamide is sourced from PubChem (CID 108955712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).