2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

C16H15N3O5 — CID 6870858

IUPAC2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c1-23-14-7-2-3-8-15(14)24-11-16(20)18-17-10-12-5-4-6-13(9-12)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyQXYAYFIKCYVTCD-LICLKQGHSA-N
MW329.31 g/mol
LogP2.13
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide

2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 6870858) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID6870858
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c1-23-14-7-2-3-8-15(14)24-11-16(20)18-17-10-12-5-4-6-13(9-12)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyQXYAYFIKCYVTCD-LICLKQGHSA-N
XLogP2.13
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
N-[(E)-(3-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5338204
2-{4-nitrophenoxy}-N'-(8-methoxy-2,3-dihydro-4H-chromen-4-ylidene)propanohydrazide
CID 6029866
N'-[3-(4-nitrophenyl)-2-propen-1-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 9585286
2-(4-Methylphenoxy)-N'-[(E)-[5-nitro-2-(piperidin-1-YL)phenyl]methylidene]acetohydrazide
CID 9595662
N'-[(1E)-(3-ethoxy-4-propoxyphenyl)methylene]-2-[(4-nitrobenzyl)thio]acetohydrazide
CID 9596202
N'-[(E)-{3-methoxy-4-[2-(morpholin-4-yl)-2-oxoethoxy]phenyl}methylidene]-2-(4-nitrophenoxy)acetohydrazide
CID 9599539
N'-[(E)-{2-[cyclohexyl(methyl)amino]-5-nitrophenyl}methylidene]-2-phenoxyacetohydrazide
CID 9692996
(Z)-N'-(2-hydroxy-3-nitrobenzylidene)-2,3-dihydrobenzo[b][1,4]dioxine-2-carbohydrazide
CID 135425037
(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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide (CID 6870858) is 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is COc1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is QXYAYFIKCYVTCD-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-23-14-7-2-3-8-15(14)24-11-16(20)18-17-10-12-5-4-6-13(9-12)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide?
2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6870858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).