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

C17H17N3O4 — CID 5393383

IUPAC2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-12-3-6-14(7-4-12)10-18-19-17(21)11-24-16-8-5-13(2)9-15(16)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-10-
InChIKeyGGKFPPXNXRHGBI-ZDLGFXPLSA-N
MW327.34 g/mol
LogP2.74
Rot. Bonds6

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

2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide (PubChem CID 5393383) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
PubChem CID5393383
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-12-3-6-14(7-4-12)10-18-19-17(21)11-24-16-8-5-13(2)9-15(16)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-10-
InChIKeyGGKFPPXNXRHGBI-ZDLGFXPLSA-N
XLogP2.74
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-Methylphenoxy)-N'-[(E)-[5-nitro-2-(piperidin-1-YL)phenyl]methylidene]acetohydrazide
CID 9595662
4-(4-methylphenoxy)-3-nitrobenzenecarbaldehyde O-methyloxime
CID 9629862
N'-[(E)-{2-[cyclohexyl(methyl)amino]-5-nitrophenyl}methylidene]-2-phenoxyacetohydrazide
CID 9692996
N'-[(Z)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135521420
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide (CID 5393383) is 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is GGKFPPXNXRHGBI-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12-3-6-14(7-4-12)10-18-19-17(21)11-24-16-8-5-13(2)9-15(16)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-10-.
What are the key properties of 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide?
2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-nitrophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5393383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).