N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

C17H17N3O5 — CID 7332490

IUPACN-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5/c1-2-24-15-9-5-3-7-13(15)11-18-19-17(21)12-25-16-10-6-4-8-14(16)20(22)23/h3-11H,2,12H2,1H3,(H,19,21)/b18-11-
InChIKeyHJKXXHBJEAJVEC-WQRHYEAKSA-N
MW343.34 g/mol
LogP2.52
Rot. Bonds8

About N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 7332490) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID7332490
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCCOc1ccccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5/c1-2-24-15-9-5-3-7-13(15)11-18-19-17(21)12-25-16-10-6-4-8-14(16)20(22)23/h3-11H,2,12H2,1H3,(H,19,21)/b18-11-
InChIKeyHJKXXHBJEAJVEC-WQRHYEAKSA-N
XLogP2.52
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.52
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

2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
2-(2-ethoxyphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
CID 3944141
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7027645
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135590004
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097
2-(2-nitrophenoxy)-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9467219

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide (CID 7332490) is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is CCOc1ccccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is HJKXXHBJEAJVEC-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-24-15-9-5-3-7-13(15)11-18-19-17(21)12-25-16-10-6-4-8-14(16)20(22)23/h3-11H,2,12H2,1H3,(H,19,21)/b18-11-.
What are the key properties of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7332490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).