2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

C16H15N3O4 — CID 5404948

IUPAC2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-12-4-2-7-15(8-12)23-11-16(20)18-17-10-13-5-3-6-14(9-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10-
InChIKeyZOCOMNRSWQSSKQ-YVLHZVERSA-N
MW313.31 g/mol
LogP2.43
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 5404948) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID5404948
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-12-4-2-7-15(8-12)23-11-16(20)18-17-10-13-5-3-6-14(9-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10-
InChIKeyZOCOMNRSWQSSKQ-YVLHZVERSA-N
XLogP2.43
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.43
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'}

Analyze 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135439703
methyl (2E)-2-{2-[(4-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6866533
methyl (2E)-2-{2-[(2-fluorobenzyl)oxy]-5-nitrobenzylidene}hydrazinecarboxylate
CID 6867106
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
2-(3-methylphenoxy)-N'-[(1E)-(2-morpholin-4-yl-5-nitrophenyl)methylene]acetohydrazide
CID 9595793
N'-[(1E)-(2-morpholin-4-yl-5-nitrophenyl)methylene]-2-(4-nitrophenoxy)acetohydrazide
CID 9598752
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
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3-methylphenoxy)acetohydrazide
CID 6870860
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (CID 5404948) is 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is Cc1cccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is ZOCOMNRSWQSSKQ-YVLHZVERSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-12-4-2-7-15(8-12)23-11-16(20)18-17-10-13-5-3-6-14(9-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10-.
What are the key properties of 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 313.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5404948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).