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

C17H17N3O5 — CID 135560389

IUPACN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O5/c1-2-16(12-3-7-14(21)8-4-12)18-19-17(22)11-25-15-9-5-13(6-10-15)20(23)24/h3-10,21H,2,11H2,1H3,(H,19,22)/b18-16+
InChIKeyVEQATGHZXGDSCJ-FBMGVBCBSA-N
MW343.34 g/mol
LogP2.61
Rot. Bonds7

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

N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 135560389) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID135560389
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCC/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C17H17N3O5/c1-2-16(12-3-7-14(21)8-4-12)18-19-17(22)11-25-15-9-5-13(6-10-15)20(23)24/h3-10,21H,2,11H2,1H3,(H,19,22)/b18-16+
InChIKeyVEQATGHZXGDSCJ-FBMGVBCBSA-N
XLogP2.61
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-nitrophenoxy)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
CID 5187996
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 135736270
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 135588966
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909337
2-(4-tert-butylphenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 6368206
N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide (CID 135560389) is N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide is CC/C(=N\NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1.
What is the InChIKey of N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is VEQATGHZXGDSCJ-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-2-16(12-3-7-14(21)8-4-12)18-19-17(22)11-25-15-9-5-13(6-10-15)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-nitrophenoxy)acetamide?
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 135560389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).