2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide

C16H14N4O6 — CID 3480695

IUPAC2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O6/c1-11(12-2-4-13(5-3-12)19(22)23)17-18-16(21)10-26-15-8-6-14(7-9-15)20(24)25/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKWYXQSXSGDNSSY-UHFFFAOYSA-N
MW358.31 g/mol
LogP2.42
Rot. Bonds7

About 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide

2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide (PubChem CID 3480695) has the molecular formula C16H14N4O6 and a molecular weight of 358.31 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
PubChem CID3480695
Molecular FormulaC16H14N4O6
Molecular Weight358.31 g/mol
Exact Mass358.09
IUPAC Name2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O6/c1-11(12-2-4-13(5-3-12)19(22)23)17-18-16(21)10-26-15-8-6-14(7-9-15)20(24)25/h2-9H,10H2,1H3,(H,18,21)
InChIKeyKWYXQSXSGDNSSY-UHFFFAOYSA-N
XLogP2.42
TPSA136.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909337
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
5-chloro-N-[4-[(Z)-C-methyl-N-[[2-(4-nitrophenoxy)acetyl]amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 6028075
2-(2-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide (CID 3480695) is 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide is CC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is KWYXQSXSGDNSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O6/c1-11(12-2-4-13(5-3-12)19(22)23)17-18-16(21)10-26-15-8-6-14(7-9-15)20(24)25/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide?
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 358.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 3480695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).