N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide

C19H16N2O3 — CID 135491081

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16N2O3/c1-24-18-9-5-4-8-15(18)19(23)21-20-12-16-14-7-3-2-6-13(14)10-11-17(16)22/h2-12,22H,1H3,(H,21,23)/b20-12+
InChIKeySGIUPSNOFYYWMP-UDWIEESQSA-N
MW320.35 g/mol
LogP3.32
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide (PubChem CID 135491081) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
PubChem CID135491081
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H16N2O3/c1-24-18-9-5-4-8-15(18)19(23)21-20-12-16-14-7-3-2-6-13(14)10-11-17(16)22/h2-12,22H,1H3,(H,21,23)/b20-12+
InChIKeySGIUPSNOFYYWMP-UDWIEESQSA-N
XLogP3.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-3,4-Dihydroxy-N'-((2-methoxynaphthalen-1-YL)methylene)benzohydrazide
CID 9562794
Dynasore
CID 135533054
N'-cyclohexylidene-3-hydroxynaphthalene-2-carbohydrazide
CID 795531
Naphthalene-2-carboxylic acid N'-(2-methoxy-benzoyl)-hydrazide
CID 789947
(E)-2-((1-oxo-1H-benzo[f]chromen-2-yl)methylene)hydrazinecarboxamide
CID 6885749
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 135549682
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 670460
1-hydroxy-N'-(4-methoxybenzoyl)-2-naphthohydrazide
CID 774191
2-Hydroxy-1-naphthylaldehyde 3-fluorobenzoylhydrazone
CID 135412822
2-Hydroxy-1-naphthalaldehyde salicyloylhydrazone
CID 135458654
4-Methylbenzoic (2-hydroxy-1-naphthylmethylene)hydrazide
CID 135407190
N'-(1,3-dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
CID 5779530

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide (CID 135491081) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide is COc1ccccc1C(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide?
The InChIKey is SGIUPSNOFYYWMP-UDWIEESQSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-18-9-5-4-8-15(18)19(23)21-20-12-16-14-7-3-2-6-13(14)10-11-17(16)22/h2-12,22H,1H3,(H,21,23)/b20-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide has a molecular weight of 320.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methoxybenzamide is sourced from PubChem (CID 135491081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).