N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide

C23H22N4O2 — CID 58350172

IUPACN-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
SMILESCNC(=O)CC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O2/c1-24-22(28)16-23(29)26-25-17-18-12-14-21(15-13-18)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,24,28)(H,26,29)/b25-17+
InChIKeyFMZLZUMUWASSQW-KOEQRZSOSA-N
MW386.46 g/mol
LogP3.74
Rot. Bonds7

About N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide

N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide (PubChem CID 58350172) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide.

Molecular Properties

Compound NameN-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
PubChem CID58350172
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
SMILESCNC(=O)CC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N4O2/c1-24-22(28)16-23(29)26-25-17-18-12-14-21(15-13-18)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,24,28)(H,26,29)/b25-17+
InChIKeyFMZLZUMUWASSQW-KOEQRZSOSA-N
XLogP3.74
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
trimethyl-[2-oxo-2-[(2Z)-2-[[4-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]-N-[4-[(Z)-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]methyl]phenyl]anilino]phenyl]methylidene]hydrazinyl]ethyl]azanium
CID 132568696
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464
N'-hydroxy-2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]butanediamide
CID 91268345
N-(2-hydroxyphenyl)-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]octanediamide
CID 44507893
2-(4-tert-butylphenoxy)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]acetamide
CID 6901085
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-benzyl-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanediamide
CID 94847602
2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 6901568
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 22613567
N-[(E)-benzylideneamino]butanamide
CID 6872028

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide?
The IUPAC name of N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide (CID 58350172) is N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide.
What is the SMILES notation for N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide?
The canonical SMILES for N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide is CNC(=O)CC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide?
The InChIKey is FMZLZUMUWASSQW-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-24-22(28)16-23(29)26-25-17-18-12-14-21(15-13-18)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,24,28)(H,26,29)/b25-17+.
What are the key properties of N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide?
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide has a molecular weight of 386.46 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide is sourced from PubChem (CID 58350172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).