N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide

C24H22ClN3O6 — CID 51060242

IUPACN-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O6/c1-2-32-23-13-18(5-12-22(23)34-15-17-3-6-19(25)7-4-17)14-26-27-24(29)16-33-21-10-8-20(9-11-21)28(30)31/h3-14H,2,15-16H2,1H3,(H,27,29)/b26-14+
InChIKeyOVDUARODBHBKEK-VULFUBBASA-N
MW483.91 g/mol
LogP4.76
Rot. Bonds11

About N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 51060242) has the molecular formula C24H22ClN3O6 and a molecular weight of 483.91 g/mol. Its IUPAC name is N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID51060242
Molecular FormulaC24H22ClN3O6
Molecular Weight483.91 g/mol
Exact Mass483.12
IUPAC NameN-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN3O6/c1-2-32-23-13-18(5-12-22(23)34-15-17-3-6-19(25)7-4-17)14-26-27-24(29)16-33-21-10-8-20(9-11-21)28(30)31/h3-14H,2,15-16H2,1H3,(H,27,29)/b26-14+
InChIKeyOVDUARODBHBKEK-VULFUBBASA-N
XLogP4.76
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.91
LogP ≤ 54.76
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-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 9599539
2-(2-Methoxyphenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 6870858
N'-(4-Chlorobenzylidene)-2-(4-nitrophenoxy)acetohydrazide
CID 6869315
2-(2-Methoxyphenoxy)-N'-(4-nitrobenzylidene)acetohydrazide
CID 9556658
N'-(4-Ethoxybenzylidene)-2-(4-nitrophenoxy)acetohydrazide
CID 9616249
N'-(4-Hydroxy-3-methoxybenzylidene)-2-(4-nitrophenoxy)propanohydrazide
CID 135685449
2-Ethoxy-4-((E)-{[2-(4-nitrophenoxy)propanoyl]hydrazono}methyl)phenyl 2,4-dichlorobenzoate
CID 9662515
2-(4-nitrophenoxy)-N-[(E)-[2-(phenoxymethyl)phenyl]methylideneamino]acetamide
CID 44435842
2-(4-Chlorophenoxy)-N'-(3-nitrobenzylidene)acetohydrazide
CID 6870633
2-(4-Chlorophenoxy)-N'-(4-nitrobenzylidene)acetohydrazide
CID 6870634
N'-(2-Ethoxybenzylidene)-2-(4-nitrophenoxy)acetohydrazide
CID 9558305
N'-(3-Methoxybenzylidene)-2-(4-nitrophenoxy)acetohydrazide
CID 9616241

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 51060242) is N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide is CCOc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is OVDUARODBHBKEK-VULFUBBASA-N. The full InChI is InChI=1S/C24H22ClN3O6/c1-2-32-23-13-18(5-12-22(23)34-15-17-3-6-19(25)7-4-17)14-26-27-24(29)16-33-21-10-8-20(9-11-21)28(30)31/h3-14H,2,15-16H2,1H3,(H,27,29)/b26-14+.
What are the key properties of N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 483.91 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 51060242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).