2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

C24H23N3O5 — CID 126053216

IUPAC2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H23N3O5/c1-3-31-23-14-18(15-25-19-8-10-21(11-9-19)27(29)30)7-12-22(23)32-16-24(28)26-20-6-4-5-17(2)13-20/h4-15H,3,16H2,1-2H3,(H,26,28)/b25-15+
InChIKeyMFNAUIIZFKAROV-MFKUBSTISA-N
MW433.46 g/mol
LogP5.07
Rot. Bonds9

About 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide

2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (PubChem CID 126053216) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
PubChem CID126053216
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
SMILESCCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C24H23N3O5/c1-3-31-23-14-18(15-25-19-8-10-21(11-9-19)27(29)30)7-12-22(23)32-16-24(28)26-20-6-4-5-17(2)13-20/h4-15H,3,16H2,1-2H3,(H,26,28)/b25-15+
InChIKeyMFNAUIIZFKAROV-MFKUBSTISA-N
XLogP5.07
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[2-bromo-6-ethoxy-4-(phenyliminomethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 126220525
2-[2-bromo-6-ethoxy-4-[(4-ethylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126222442
N-[(E)-[3-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126270249
2-[2-chloro-6-ethoxy-4-[(4-methoxyphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126224022
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
3,4-diethoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126307973
4-ethoxy-3-methoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126317421
1-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205917
N-(3-chloro-4-methylphenyl)-2-[4-[(3,4-dimethylphenyl)iminomethyl]-2-ethoxyphenoxy]acetamide
CID 126209044
2-[2-chloro-6-methoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126051170
2-[4-[(1,3-dioxoinden-2-ylidene)methyl]-2-ethoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 12005234
N-[(E)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126272475

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide (CID 126053216) is 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
The InChIKey is MFNAUIIZFKAROV-MFKUBSTISA-N. The full InChI is InChI=1S/C24H23N3O5/c1-3-31-23-14-18(15-25-19-8-10-21(11-9-19)27(29)30)7-12-22(23)32-16-24(28)26-20-6-4-5-17(2)13-20/h4-15H,3,16H2,1-2H3,(H,26,28)/b25-15+.
What are the key properties of 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide?
2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide has a molecular weight of 433.46 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(4-nitrophenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 126053216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).