2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide

C17H17N3O5 — CID 5334872

IUPAC2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)C(O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5/c1-11(13-8-9-15(25-2)14(10-13)20(23)24)18-19-17(22)16(21)12-6-4-3-5-7-12/h3-10,16,21H,1-2H3,(H,19,22)/b18-11+
InChIKeyXOZFENCUXRUYOP-WOJGMQOQSA-N
MW343.34 g/mol
LogP2.18
Rot. Bonds6

About 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide

2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide (PubChem CID 5334872) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
PubChem CID5334872
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)C(O)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5/c1-11(13-8-9-15(25-2)14(10-13)20(23)24)18-19-17(22)16(21)12-6-4-3-5-7-12/h3-10,16,21H,1-2H3,(H,19,22)/b18-11+
InChIKeyXOZFENCUXRUYOP-WOJGMQOQSA-N
XLogP2.18
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 1113261
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 6138668
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
(2R)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6948447
(3S,4R)-N-[1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 1015447
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
4-[[[(2R)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
CID 7030237
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
2-hydroxy-N-[1-(4-nitrothiophen-2-yl)ethylideneamino]-2-phenylacetamide
CID 3097259

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide (CID 5334872) is 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide is COc1ccc(/C(C)=N/NC(=O)C(O)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide?
The InChIKey is XOZFENCUXRUYOP-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11(13-8-9-15(25-2)14(10-13)20(23)24)18-19-17(22)16(21)12-6-4-3-5-7-12/h3-10,16,21H,1-2H3,(H,19,22)/b18-11+.
What are the key properties of 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide?
2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide has a molecular weight of 343.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5334872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).