2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide

C17H17N3O4 — CID 19182341

IUPAC2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
SMILESCCc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O4/c1-2-13-7-4-6-10-16(13)24-12-17(21)19-18-11-14-8-3-5-9-15(14)20(22)23/h3-11H,2,12H2,1H3,(H,19,21)/b18-11+
InChIKeyZHEJCBLCKBYPQH-WOJGMQOQSA-N
MW327.34 g/mol
LogP2.69
Rot. Bonds7

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

2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide (PubChem CID 19182341) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
PubChem CID19182341
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
SMILESCCc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O4/c1-2-13-7-4-6-10-16(13)24-12-17(21)19-18-11-14-8-3-5-9-15(14)20(22)23/h3-11H,2,12H2,1H3,(H,19,21)/b18-11+
InChIKeyZHEJCBLCKBYPQH-WOJGMQOQSA-N
XLogP2.69
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.69
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

2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
2-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136757938
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
2-(4-chloro-2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 766399
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332460
2-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
2-(2-bromo-4-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 4925945
2-(2-ethoxyphenoxy)-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]acetamide
CID 3944141

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide (CID 19182341) is 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide is CCc1ccccc1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
The InChIKey is ZHEJCBLCKBYPQH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-13-7-4-6-10-16(13)24-12-17(21)19-18-11-14-8-3-5-9-15(14)20(22)23/h3-11H,2,12H2,1H3,(H,19,21)/b18-11+.
What are the key properties of 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide?
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 19182341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).