N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide

C18H19N3O6 — CID 5431266

IUPACN-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCCOc1ccc(OC)c(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H19N3O6/c1-3-26-16-8-9-17(25-2)13(10-16)11-19-20-18(22)12-27-15-6-4-14(5-7-15)21(23)24/h4-11H,3,12H2,1-2H3,(H,20,22)/b19-11-
InChIKeyZLBYELUMKQUIOD-ODLFYWEKSA-N
MW373.37 g/mol
LogP2.53
Rot. Bonds9

About N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 5431266) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID5431266
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC NameN-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCCOc1ccc(OC)c(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H19N3O6/c1-3-26-16-8-9-17(25-2)13(10-16)11-19-20-18(22)12-27-15-6-4-14(5-7-15)21(23)24/h4-11H,3,12H2,1-2H3,(H,20,22)/b19-11-
InChIKeyZLBYELUMKQUIOD-ODLFYWEKSA-N
XLogP2.53
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5089183
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5432415
[2-methoxy-4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3598745
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 7368753
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 1367251
2-(3-chlorophenoxy)-N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
CID 4603346
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126186109
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590230
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 39819272
2-(4-chloro-3-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19167750

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 5431266) is N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is CCOc1ccc(OC)c(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is ZLBYELUMKQUIOD-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-3-26-16-8-9-17(25-2)13(10-16)11-19-20-18(22)12-27-15-6-4-14(5-7-15)21(23)24/h4-11H,3,12H2,1-2H3,(H,20,22)/b19-11-.
What are the key properties of N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 373.37 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 5431266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).