N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

C16H15N3O5 — CID 135439742

IUPACN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c1-11-2-7-15(14(8-11)19(22)23)24-10-16(21)18-17-9-12-3-5-13(20)6-4-12/h2-9,20H,10H2,1H3,(H,18,21)/b17-9-
InChIKeyAAAYSHMCBYUFIR-MFOYZWKCSA-N
MW329.31 g/mol
LogP2.14
Rot. Bonds6

About N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 135439742) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID135439742
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2ccc(O)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c1-11-2-7-15(14(8-11)19(22)23)24-10-16(21)18-17-9-12-3-5-13(20)6-4-12/h2-9,20H,10H2,1H3,(H,18,21)/b17-9-
InChIKeyAAAYSHMCBYUFIR-MFOYZWKCSA-N
XLogP2.14
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(Z)-N'-(4-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135779768
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135439703
4-(4-methylphenoxy)-3-nitrobenzenecarbaldehyde O-methyloxime
CID 9629862
(Z)-N'-(2-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135425037
N'-[(Z)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135521420
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylidene]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetohydrazide
CID 135521465
2-{4-ethyl-2-nitrophenoxy}-N'-(2-furylmethylene)acetohydrazide
CID 5401094
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'-(4-Nitrobenzylidene)-2-phenoxyacetohydrazide
CID 9556570
2-(2-Methoxyphenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 6870858
N-[(E)-[5-nitro-2-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 5349970

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 135439742) is N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C\c2ccc(O)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is AAAYSHMCBYUFIR-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11-2-7-15(14(8-11)19(22)23)24-10-16(21)18-17-9-12-3-5-13(20)6-4-12/h2-9,20H,10H2,1H3,(H,18,21)/b17-9-.
What are the key properties of N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 135439742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).