N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide

C17H17N3O4 — CID 135736270

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O4/c1-2-16(13-5-9-15(21)10-6-13)18-19-17(22)11-12-3-7-14(8-4-12)20(23)24/h3-10,21H,2,11H2,1H3,(H,19,22)/b18-16+
InChIKeyCFDXOZSTCRUFBK-FBMGVBCBSA-N
MW327.34 g/mol
LogP2.77
Rot. Bonds6

About N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 135736270) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID135736270
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O4/c1-2-16(13-5-9-15(21)10-6-13)18-19-17(22)11-12-3-7-14(8-4-12)20(23)24/h3-10,21H,2,11H2,1H3,(H,19,22)/b18-16+
InChIKeyCFDXOZSTCRUFBK-FBMGVBCBSA-N
XLogP2.77
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
CID 135560389
N,N'-bis[(E)-1-(4-hydroxyphenyl)propylideneamino]hexanediamide
CID 135721513
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-[(Z)-1-(4-hydroxyphenyl)propylideneamino]-2-nitrobenzamide
CID 135899627
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
CID 5201296
2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-thiophen-2-ylacetamide
CID 135603281
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide (CID 135736270) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide is CC/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is CFDXOZSTCRUFBK-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-16(13-5-9-15(21)10-6-13)18-19-17(22)11-12-3-7-14(8-4-12)20(23)24/h3-10,21H,2,11H2,1H3,(H,19,22)/b18-16+.
What are the key properties of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 135736270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).