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

C16H16N4O4 — CID 909337

IUPACN-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1
InChIInChI=1S/C16H16N4O4/c1-11(12-2-4-13(17)5-3-12)18-19-16(21)10-24-15-8-6-14(7-9-15)20(22)23/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyAIBDIUBDIYUXPA-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.10
Rot. Bonds6

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

N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 909337) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID909337
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1
InChIInChI=1S/C16H16N4O4/c1-11(12-2-4-13(17)5-3-12)18-19-16(21)10-24-15-8-6-14(7-9-15)20(22)23/h2-9H,10,17H2,1H3,(H,19,21)
InChIKeyAIBDIUBDIYUXPA-UHFFFAOYSA-N
XLogP2.10
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(4-butan-2-ylphenoxy)acetamide
CID 6231630
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide (CID 909337) is N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide is CC(=NNC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1.
What is the InChIKey of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is AIBDIUBDIYUXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-11(12-2-4-13(17)5-3-12)18-19-16(21)10-24-15-8-6-14(7-9-15)20(22)23/h2-9H,10,17H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 909337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).