N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide

C23H21N3O3 — CID 3990065

IUPACN-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c27-22(25-20-9-5-2-6-10-20)15-23(28)26-24-16-18-11-13-21(14-12-18)29-17-19-7-3-1-4-8-19/h1-14,16H,15,17H2,(H,25,27)(H,26,28)
InChIKeyKZWRRWZKIQHMOH-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.74
Rot. Bonds8

About N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide

N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide (PubChem CID 3990065) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
PubChem CID3990065
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c27-22(25-20-9-5-2-6-10-20)15-23(28)26-24-16-18-11-13-21(14-12-18)29-17-19-7-3-1-4-8-19/h1-14,16H,15,17H2,(H,25,27)(H,26,28)
InChIKeyKZWRRWZKIQHMOH-UHFFFAOYSA-N
XLogP3.74
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
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'}

Analyze N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]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

N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide
CID 3371497
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
N-(4-fluorophenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 5022696
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide (CID 3990065) is N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1ccccc1)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide?
The InChIKey is KZWRRWZKIQHMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(25-20-9-5-2-6-10-20)15-23(28)26-24-16-18-11-13-21(14-12-18)29-17-19-7-3-1-4-8-19/h1-14,16H,15,17H2,(H,25,27)(H,26,28).
What are the key properties of N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide?
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide has a molecular weight of 387.44 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3990065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).