N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide

C25H24ClN3O4 — CID 3315682

IUPACN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-2-32-21-13-9-20(10-14-21)28-24(30)15-25(31)29-27-16-18-7-11-22(12-8-18)33-17-19-5-3-4-6-23(19)26/h3-14,16H,2,15,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyBWDRFHUMTAECEP-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.80
Rot. Bonds10

About N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide

N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide (PubChem CID 3315682) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide.

Molecular Properties

Compound NameN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
PubChem CID3315682
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-2-32-21-13-9-20(10-14-21)28-24(30)15-25(31)29-27-16-18-7-11-22(12-8-18)33-17-19-5-3-4-6-23(19)26/h3-14,16H,2,15,17H2,1H3,(H,28,30)(H,29,31)
InChIKeyBWDRFHUMTAECEP-UHFFFAOYSA-N
XLogP4.80
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.80
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

N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 4218873
N-(4-chlorophenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pentanediamide
CID 6871476
N'-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3645255
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(4-acetamidophenyl)-N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3425662
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 3451254
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
CID 4299291
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 19189842
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
The IUPAC name of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide (CID 3315682) is N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide.
What is the SMILES notation for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
The canonical SMILES for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide is CCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3Cl)cc2)cc1.
What is the InChIKey of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
The InChIKey is BWDRFHUMTAECEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-2-32-21-13-9-20(10-14-21)28-24(30)15-25(31)29-27-16-18-7-11-22(12-8-18)33-17-19-5-3-4-6-23(19)26/h3-14,16H,2,15,17H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide?
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide has a molecular weight of 465.94 g/mol, XLogP of 4.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide is sourced from PubChem (CID 3315682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).