N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide

C17H16N4O9 — CID 136720692

IUPACN-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C17H16N4O9/c1-28-12-4-3-10(14(22)7-12)8-18-19-16(23)9-30-17-13(21(26)27)5-11(20(24)25)6-15(17)29-2/h3-8,22H,9H2,1-2H3,(H,19,23)/b18-8-
InChIKeyAWYVXWCZUPODKN-LSCVHKIXSA-N
MW420.33 g/mol
LogP1.75
Rot. Bonds9

About N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide

N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide (PubChem CID 136720692) has the molecular formula C17H16N4O9 and a molecular weight of 420.33 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide
PubChem CID136720692
Molecular FormulaC17H16N4O9
Molecular Weight420.33 g/mol
Exact Mass420.09
IUPAC NameN-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C17H16N4O9/c1-28-12-4-3-10(14(22)7-12)8-18-19-16(23)9-30-17-13(21(26)27)5-11(20(24)25)6-15(17)29-2/h3-8,22H,9H2,1-2H3,(H,19,23)/b18-8-
InChIKeyAWYVXWCZUPODKN-LSCVHKIXSA-N
XLogP1.75
TPSA175.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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Related Compounds

N-[(2-hydroxy-3-nitrophenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide
CID 3340138
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide
CID 136720690
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 135688670
2-(4-bromo-2-methoxyphenoxy)-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135420094
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135504212
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 136664097
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135479468
2-(3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135879015
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5432415
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 3097879

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide (CID 136720692) is N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide is COc1ccc(/C=N\NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide?
The InChIKey is AWYVXWCZUPODKN-LSCVHKIXSA-N. The full InChI is InChI=1S/C17H16N4O9/c1-28-12-4-3-10(14(22)7-12)8-18-19-16(23)9-30-17-13(21(26)27)5-11(20(24)25)6-15(17)29-2/h3-8,22H,9H2,1-2H3,(H,19,23)/b18-8-.
What are the key properties of N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide?
N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide has a molecular weight of 420.33 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide is sourced from PubChem (CID 136720692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).