N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide

C18H19N3O2 — CID 3102448

IUPACN'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)NN=Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-17(19-12-11-15-7-3-1-4-8-15)13-18(23)21-20-14-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,19,22)(H,21,23)
InChIKeyIMCAXEGJXHLBDR-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds7

About N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide

N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide (PubChem CID 3102448) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
PubChem CID3102448
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
SMILESO=C(CC(=O)NN=Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-17(19-12-11-15-7-3-1-4-8-15)13-18(23)21-20-14-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,19,22)(H,21,23)
InChIKeyIMCAXEGJXHLBDR-UHFFFAOYSA-N
XLogP1.89
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide 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

4-[[[3-oxo-3-(2-phenylethylamino)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 2254790
N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 23723111
N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 3131651
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6062602
N'-[(E)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 94832214
1-(2-phenylethyl)-3-[(Z)-[4-[(Z)-(2-phenylethylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6146871
N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6018671
N'-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 94837559
N-benzyl-N'-[(E)-benzylideneamino]hexanediamide
CID 56689025
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
CID 94847602
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
N'-(benzylideneamino)-N-(2-bromophenyl)propanediamide
CID 3998182

Frequently Asked Questions

What is the IUPAC name of N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide (CID 3102448) is N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide is O=C(CC(=O)NN=Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide?
The InChIKey is IMCAXEGJXHLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(19-12-11-15-7-3-1-4-8-15)13-18(23)21-20-14-16-9-5-2-6-10-16/h1-10,14H,11-13H2,(H,19,22)(H,21,23).
What are the key properties of N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide?
N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide has a molecular weight of 309.37 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 3102448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).