N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

C16H15N3O6 — CID 135683322

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H15N3O6/c1-10(25-14-6-3-12(4-7-14)19(23)24)16(22)18-17-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,18,22)/b17-9+
InChIKeyNTXKQYVGLPPODU-RQZCQDPDSA-N
MW345.31 g/mol
LogP1.92
Rot. Bonds6

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (PubChem CID 135683322) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
PubChem CID135683322
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H15N3O6/c1-10(25-14-6-3-12(4-7-14)19(23)24)16(22)18-17-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,18,22)/b17-9+
InChIKeyNTXKQYVGLPPODU-RQZCQDPDSA-N
XLogP1.92
TPSA134.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135439703
2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135401262
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135521465
(Z)-N'-(2-hydroxy-3-methyl-5-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135845991
N'-[(E)-(4-hydroxyphenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135401376
N'-[(1Z)-(4-hydroxy-3-nitrophenyl)methylene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135472784
N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 5349970
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
CID 6862050
2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide
CID 9619223
2-(4-methyl-2-nitrophenoxy)-N'-[(E)-phenylmethylidene]acetohydrazide
CID 9690221
2-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135401314
N'-[(Z)-(4-Hydroxyphenyl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135439742

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (CID 135683322) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The InChIKey is NTXKQYVGLPPODU-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-10(25-14-6-3-12(4-7-14)19(23)24)16(22)18-17-9-11-2-5-13(20)8-15(11)21/h2-10,20-21H,1H3,(H,18,22)/b17-9+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide has a molecular weight of 345.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 135683322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).