N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide

C20H16N4O5 — CID 6172896

IUPACN'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N4O5/c1-29-18-10-9-13(11-17(18)24(27)28)12-21-23-20(26)19(25)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12H,1H3,(H,22,25)(H,23,26)/b21-12-
InChIKeyOVGRQZOVSJEOGL-MTJSOVHGSA-N
MW392.37 g/mol
LogP2.85
Rot. Bonds5

About N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide

N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide (PubChem CID 6172896) has the molecular formula C20H16N4O5 and a molecular weight of 392.37 g/mol. Its IUPAC name is N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide
PubChem CID6172896
Molecular FormulaC20H16N4O5
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC NameN'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C20H16N4O5/c1-29-18-10-9-13(11-17(18)24(27)28)12-21-23-20(26)19(25)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12H,1H3,(H,22,25)(H,23,26)/b21-12-
InChIKeyOVGRQZOVSJEOGL-MTJSOVHGSA-N
XLogP2.85
TPSA122.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-methoxy-3-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6897427
N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94833483
N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 4176565
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5446414
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135641791
N'-[(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 4269018
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 45055016
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide (CID 6172896) is N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide is COc1ccc(/C=N\NC(=O)C(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
The InChIKey is OVGRQZOVSJEOGL-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H16N4O5/c1-29-18-10-9-13(11-17(18)24(27)28)12-21-23-20(26)19(25)22-16-8-4-6-14-5-2-3-7-15(14)16/h2-12H,1H3,(H,22,25)(H,23,26)/b21-12-.
What are the key properties of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide?
N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide has a molecular weight of 392.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 6172896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).