N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

C17H17N3O6 — CID 135504248

IUPACN-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1c(O)ccc(/C=N/NC(=O)COc2cccc(C)c2)c1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O6/c1-11-4-3-5-13(8-11)26-10-15(22)19-18-9-12-6-7-14(21)17(25-2)16(12)20(23)24/h3-9,21H,10H2,1-2H3,(H,19,22)/b18-9+
InChIKeyNCHUJTVPIUZWLD-GIJQJNRQSA-N
MW359.34 g/mol
LogP2.15
Rot. Bonds7

About N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 135504248) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID135504248
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCOc1c(O)ccc(/C=N/NC(=O)COc2cccc(C)c2)c1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O6/c1-11-4-3-5-13(8-11)26-10-15(22)19-18-9-12-6-7-14(21)17(25-2)16(12)20(23)24/h3-9,21H,10H2,1-2H3,(H,19,22)/b18-9+
InChIKeyNCHUJTVPIUZWLD-GIJQJNRQSA-N
XLogP2.15
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (CID 135504248) is N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is COc1c(O)ccc(/C=N/NC(=O)COc2cccc(C)c2)c1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is NCHUJTVPIUZWLD-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-11-4-3-5-13(8-11)26-10-15(22)19-18-9-12-6-7-14(21)17(25-2)16(12)20(23)24/h3-9,21H,10H2,1-2H3,(H,19,22)/b18-9+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 359.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxy-2-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 135504248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).