N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide

C20H24N2O4 — CID 135420199

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)N/N=C/c2cccc(OC)c2O)cc1C
InChIInChI=1S/C20H24N2O4/c1-14-12-15(10-11-17(14)25-2)6-4-9-19(23)22-21-13-16-7-5-8-18(26-3)20(16)24/h5,7-8,10-13,24H,4,6,9H2,1-3H3,(H,22,23)/b21-13+
InChIKeyJZIFMGQPPURAJR-FYJGNVAPSA-N
MW356.42 g/mol
LogP3.19
Rot. Bonds8

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide (PubChem CID 135420199) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
PubChem CID135420199
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)N/N=C/c2cccc(OC)c2O)cc1C
InChIInChI=1S/C20H24N2O4/c1-14-12-15(10-11-17(14)25-2)6-4-9-19(23)22-21-13-16-7-5-8-18(26-3)20(16)24/h5,7-8,10-13,24H,4,6,9H2,1-3H3,(H,22,23)/b21-13+
InChIKeyJZIFMGQPPURAJR-FYJGNVAPSA-N
XLogP3.19
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6895403
2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
N'-(1,3-benzodioxol-5-ylmethylene)-3-(4-methoxyphenyl)propanohydrazide
CID 6876987
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-1-methylbicyclo[4.1.0]heptane-7-carbohydrazide
CID 9591898
N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-3-(3,4-dihydroxyphenyl)propanehydrazide
CID 9625295
N'-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-2-phenylacetohydrazide
CID 135536260
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647873
N'-[(E)-(3-ethoxy-2-hydroxyphenyl)methylidene]cyclopentanecarbohydrazide
CID 135647876
(2E)-2-benzylidene-4-hydroxy-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]butanehydrazide
CID 135517042
1-(2-Hydroxybenzoyl)-2-(2-hydroxy-3-methoxybenzal)hydrazine
CID 438716

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide (CID 135420199) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide is COc1ccc(CCCC(=O)N/N=C/c2cccc(OC)c2O)cc1C.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide?
The InChIKey is JZIFMGQPPURAJR-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-12-15(10-11-17(14)25-2)6-4-9-19(23)22-21-13-16-7-5-8-18(26-3)20(16)24/h5,7-8,10-13,24H,4,6,9H2,1-3H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide has a molecular weight of 356.42 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(4-methoxy-3-methylphenyl)butanamide is sourced from PubChem (CID 135420199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).