N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide

C16H15N3O6 — CID 135490388

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCOc1cccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C16H15N3O6/c1-24-14-4-2-3-11(16(14)21)9-17-18-15(20)10-25-13-7-5-12(6-8-13)19(22)23/h2-9,21H,10H2,1H3,(H,18,20)/b17-9+
InChIKeyILMUIWNPTQJSEJ-RQZCQDPDSA-N
MW345.31 g/mol
LogP1.84
Rot. Bonds7

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 135490388) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID135490388
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCOc1cccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C16H15N3O6/c1-24-14-4-2-3-11(16(14)21)9-17-18-15(20)10-25-13-7-5-12(6-8-13)19(22)23/h2-9,21H,10H2,1H3,(H,18,20)/b17-9+
InChIKeyILMUIWNPTQJSEJ-RQZCQDPDSA-N
XLogP1.84
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 135490388) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is COc1cccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is ILMUIWNPTQJSEJ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-24-14-4-2-3-11(16(14)21)9-17-18-15(20)10-25-13-7-5-12(6-8-13)19(22)23/h2-9,21H,10H2,1H3,(H,18,20)/b17-9+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 345.31 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 135490388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).