N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

C20H18N2O4 — CID 135489946

IUPACN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(OC)c1O
InChIInChI=1S/C20H18N2O4/c1-25-17-10-13(11-18(26-2)19(17)23)12-21-22-20(24)16-9-5-7-14-6-3-4-8-15(14)16/h3-12,23H,1-2H3,(H,22,24)/b21-12+
InChIKeyGSTBHQWWBXOCJX-CIAFOILYSA-N
MW350.37 g/mol
LogP3.33
Rot. Bonds5

About N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 135489946) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
PubChem CID135489946
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(OC)c1O
InChIInChI=1S/C20H18N2O4/c1-25-17-10-13(11-18(26-2)19(17)23)12-21-22-20(24)16-9-5-7-14-6-3-4-8-15(14)16/h3-12,23H,1-2H3,(H,22,24)/b21-12+
InChIKeyGSTBHQWWBXOCJX-CIAFOILYSA-N
XLogP3.33
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
Dyngo-4a
CID 136227923
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 6895403
3-Cyano-4-hydroxy-benzoic acid [4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-benzylidene]-hydrazide
CID 10073574
Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
N'-(2,3-dimethoxybenzylidene)-1-naphthohydrazide
CID 6874153
2-{2-Methoxy-4-[2-(1-naphthoyl)carbohydrazonoyl]phenoxy}acetamide
CID 9563859
4-hydroxy-3-methoxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25237444
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135735439
N''-(4-(4-isopropylbenzyloxy)-3,5-dimethoxybenzylidene)-4-hydroxybenzohydrazide
CID 44373502
3-Fluoro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-phenyl]-meth-(E)-ylidene]-hydrazide
CID 44373547
2,3-Difluoro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-phenyl]-meth-(E)-ylidene]-hydrazide
CID 44373730

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide (CID 135489946) is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(OC)c1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is GSTBHQWWBXOCJX-CIAFOILYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-17-10-13(11-18(26-2)19(17)23)12-21-22-20(24)16-9-5-7-14-6-3-4-8-15(14)16/h3-12,23H,1-2H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide?
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 135489946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).