N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide

C25H24N4O6 — CID 4044793

IUPACN-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H24N4O6/c1-2-34-21-11-9-20(10-12-21)27-24(30)15-25(31)28-26-16-19-8-13-23(22(14-19)29(32)33)35-17-18-6-4-3-5-7-18/h3-14,16H,2,15,17H2,1H3,(H,27,30)(H,28,31)
InChIKeyPGCAUWJKDFJNNM-UHFFFAOYSA-N
MW476.49 g/mol
LogP4.05
Rot. Bonds11

About N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide

N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide (PubChem CID 4044793) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide
PubChem CID4044793
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC NameN-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C25H24N4O6/c1-2-34-21-11-9-20(10-12-21)27-24(30)15-25(31)28-26-16-19-8-13-23(22(14-19)29(32)33)35-17-18-6-4-3-5-7-18/h3-14,16H,2,15,17H2,1H3,(H,27,30)(H,28,31)
InChIKeyPGCAUWJKDFJNNM-UHFFFAOYSA-N
XLogP4.05
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4527998
N-(4-ethoxyphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 4684439
N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4561777
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 41270230
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 41031515
N'-[[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-N-phenylbutanediamide
CID 5206383
4-methoxy-N-[3-[2-[(3-nitro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-3-oxopropyl]benzamide
CID 4288741
N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
CID 4299291
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 94831748
N'-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-(2-ethylphenyl)propanediamide
CID 5152754
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3883682

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide (CID 4044793) is N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide is CCOc1ccc(NC(=O)CC(=O)NN=Cc2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide?
The InChIKey is PGCAUWJKDFJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-2-34-21-11-9-20(10-12-21)27-24(30)15-25(31)28-26-16-19-8-13-23(22(14-19)29(32)33)35-17-18-6-4-3-5-7-18/h3-14,16H,2,15,17H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide?
N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide has a molecular weight of 476.49 g/mol, XLogP of 4.05, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(3-nitro-4-phenylmethoxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4044793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).