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

C18H19N3O4 — CID 4299291

IUPACN-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2cccc(O)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-2-25-16-8-6-14(7-9-16)20-17(23)11-18(24)21-19-12-13-4-3-5-15(22)10-13/h3-10,12,22H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXIBOFLRARSQZOS-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.27
Rot. Bonds7

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

N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide (PubChem CID 4299291) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
PubChem CID4299291
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide
SMILESCCOc1ccc(NC(=O)CC(=O)NN=Cc2cccc(O)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-2-25-16-8-6-14(7-9-16)20-17(23)11-18(24)21-19-12-13-4-3-5-15(22)10-13/h3-10,12,22H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXIBOFLRARSQZOS-UHFFFAOYSA-N
XLogP2.27
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
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'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3883682
N'-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 4011727
N-(3,4-dimethylphenyl)-N'-[(3-ethoxyphenyl)methylideneamino]propanediamide
CID 5021212
N-(4-ethoxyphenyl)-N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]propanediamide
CID 4684439
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
N-(3,4-dichlorophenyl)-N'-[(Z)-(4-ethoxyphenyl)methylideneamino]propanediamide
CID 5440770
N-(4-butoxyphenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 126259138
N-(4-ethoxyphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 135679720
N-(4-ethoxyphenyl)-N'-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]propanediamide
CID 5027683
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3297181
N'-[(3-hydroxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 5041906
N'-[(3-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 5024067

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide (CID 4299291) is N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide is CCOc1ccc(NC(=O)CC(=O)NN=Cc2cccc(O)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide?
The InChIKey is XIBOFLRARSQZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-25-16-8-6-14(7-9-16)20-17(23)11-18(24)21-19-12-13-4-3-5-15(22)10-13/h3-10,12,22H,2,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide?
N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide has a molecular weight of 341.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-[(3-hydroxyphenyl)methylideneamino]propanediamide is sourced from PubChem (CID 4299291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).