N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen

C19H25N3O2 — CID 142563467

IUPACN'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
SMILESCC.Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C17H15N3O2.C2H6.2H2/c1-12-2-6-14(7-3-12)19-16(21)10-17(22)20-15-8-4-13(11-18)5-9-15;1-2;;/h2-9H,10H2,1H3,(H,19,21)(H,20,22);1-2H3;2*1H
InChIKeyNIUMKAJVYWHXNH-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.35
Rot. Bonds4

About N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen

N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen (PubChem CID 142563467) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
PubChem CID142563467
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen
SMILESCC.Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C17H15N3O2.C2H6.2H2/c1-12-2-6-14(7-3-12)19-16(21)10-17(22)20-15-8-4-13(11-18)5-9-15;1-2;;/h2-9H,10H2,1H3,(H,19,21)(H,20,22);1-2H3;2*1H
InChIKeyNIUMKAJVYWHXNH-UHFFFAOYSA-N
XLogP4.35
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-N'-(4-iodophenyl)propanediamide
CID 138582542
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
[2-(4-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2592589
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657
N-(4-cyanophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705396
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
N-(4-cyanophenyl)pentanamide
CID 2162994
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
[2-(4-cyanoanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9393047

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen?
The IUPAC name of N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen (CID 142563467) is N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen.
What is the SMILES notation for N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen?
The canonical SMILES for N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen is CC.Cc1ccc(NC(=O)CC(=O)Nc2ccc(C#N)cc2)cc1.[H][H].[H][H].
What is the InChIKey of N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen?
The InChIKey is NIUMKAJVYWHXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2.C2H6.2H2/c1-12-2-6-14(7-3-12)19-16(21)10-17(22)20-15-8-4-13(11-18)5-9-15;1-2;;/h2-9H,10H2,1H3,(H,19,21)(H,20,22);1-2H3;2*1H.
What are the key properties of N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen?
N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen has a molecular weight of 327.43 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-N-(4-methylphenyl)propanediamide;ethane;molecular hydrogen is sourced from PubChem (CID 142563467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).