N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

C19H19N3O4 — CID 136810482

IUPACN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1cccc2c1CCCC2)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c23-18-9-8-13(10-17(18)22(25)26)12-20-21-19(24)11-15-6-3-5-14-4-1-2-7-16(14)15/h3,5-6,8-10,12,23H,1-2,4,7,11H2,(H,21,24)/b20-12+
InChIKeyPPRWAMNHRPYFKJ-UDWIEESQSA-N
MW353.38 g/mol
LogP2.87
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 136810482) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
PubChem CID136810482
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1cccc2c1CCCC2)N/N=C/c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H19N3O4/c23-18-9-8-13(10-17(18)22(25)26)12-20-21-19(24)11-15-6-3-5-14-4-1-2-7-16(14)15/h3,5-6,8-10,12,23H,1-2,4,7,11H2,(H,21,24)/b20-12+
InChIKeyPPRWAMNHRPYFKJ-UDWIEESQSA-N
XLogP2.87
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.87
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642278
2-hydroxy-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135624573
2-hydroxy-N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135642279
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]naphthalene-1-carbohydrazide
CID 135403159
N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]-2-(naphthalen-1-YL)acetohydrazide
CID 135455115
2-hydroxy-N'-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylidene]-2,2-diphenylacetohydrazide
CID 135479551
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 3336159
N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]-2,2-diphenylcyclopropane-1-carbohydrazide
CID 135455062
N-({N'-[(E)-(4-Hydroxy-3-nitrophenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135517039
N-[(E)-(2-hydroxy-6-nitronaphthalen-1-yl)methylideneamino]-2-phenylacetamide
CID 135588681
N'-[(2-hydroxy-1-naphthyl)methylene]-3-nitrobenzohydrazide
CID 135411844
N'-[(2-hydroxy-1-naphthyl)methylene]-2-{4-nitrophenyl}acetohydrazide
CID 135478380

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide (CID 136810482) is N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is O=C(Cc1cccc2c1CCCC2)N/N=C/c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is PPRWAMNHRPYFKJ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18-9-8-13(10-17(18)22(25)26)12-20-21-19(24)11-15-6-3-5-14-4-1-2-7-16(14)15/h3,5-6,8-10,12,23H,1-2,4,7,11H2,(H,21,24)/b20-12+.
What are the key properties of N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide?
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.87, 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-nitrophenyl)methylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 136810482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).