N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide

C25H25N3O4 — CID 4561777

IUPACN-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-2-31-22-14-12-21(13-15-22)27-24(29)16-25(30)28-26-17-20-10-6-7-11-23(20)32-18-19-8-4-3-5-9-19/h3-15,17H,2,16,18H2,1H3,(H,27,29)(H,28,30)
InChIKeyQLXFGZJHRZOGCL-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.14
Rot. Bonds10

About N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide

N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide (PubChem CID 4561777) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
PubChem CID4561777
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-2-31-22-14-12-21(13-15-22)27-24(29)16-25(30)28-26-17-20-10-6-7-11-23(20)32-18-19-8-4-3-5-9-19/h3-15,17H,2,16,18H2,1H3,(H,27,29)(H,28,30)
InChIKeyQLXFGZJHRZOGCL-UHFFFAOYSA-N
XLogP4.14
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(4-ethoxyanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6118655
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3903944
N-(4-ethoxyphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135679720
N-(4-methylphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3289635
N-[(2-phenylmethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4508943
N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4044793
N-(2-chlorophenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3569452
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 3451254
4-(butanoylamino)-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 3372714
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
2-(4-methoxyanilino)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4005340

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide (CID 4561777) is N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide is CCOc1ccc(NC(=O)CC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
The InChIKey is QLXFGZJHRZOGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-2-31-22-14-12-21(13-15-22)27-24(29)16-25(30)28-26-17-20-10-6-7-11-23(20)32-18-19-8-4-3-5-9-19/h3-15,17H,2,16,18H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide?
N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide has a molecular weight of 431.49 g/mol, XLogP of 4.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4561777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).