N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide

C25H24N4O7 — CID 4265248

IUPACN-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C25H24N4O7/c1-3-35-23-13-17(15-26-28-25(31)18-5-4-6-20(14-18)29(32)33)7-12-22(23)36-16-24(30)27-19-8-10-21(34-2)11-9-19/h4-15H,3,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIQIYIQPRSZBBNJ-UHFFFAOYSA-N
MW492.49 g/mol
LogP3.78
Rot. Bonds11

About N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide

N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide (PubChem CID 4265248) has the molecular formula C25H24N4O7 and a molecular weight of 492.49 g/mol. Its IUPAC name is N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
PubChem CID4265248
Molecular FormulaC25H24N4O7
Molecular Weight492.49 g/mol
Exact Mass492.16
IUPAC NameN-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
SMILESCCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C25H24N4O7/c1-3-35-23-13-17(15-26-28-25(31)18-5-4-6-20(14-18)29(32)33)7-12-22(23)36-16-24(30)27-19-8-10-21(34-2)11-9-19/h4-15H,3,16H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyIQIYIQPRSZBBNJ-UHFFFAOYSA-N
XLogP3.78
TPSA141.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126265070
N-[(E)-[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126272475
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 9016103
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 96884567
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
N-[(Z)-[3-ethoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126020010
N-[(E)-[3-methoxy-4-[2-(3-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 126071863
N-[(E)-(3-ethoxy-4-methoxy-5-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 110506741
N-[(E)-[3-chloro-4-[2-(4-chloroanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-3-nitrobenzamide
CID 126278176
N-[(E)-[3-bromo-5-ethoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide
CID 126268728
N-[(Z)-[3-ethoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-fluorobenzamide
CID 126022472
3,4-diethoxy-N-[(E)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126307973

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide (CID 4265248) is N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide is CCOc1cc(C=NNC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide?
The InChIKey is IQIYIQPRSZBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O7/c1-3-35-23-13-17(15-26-28-25(31)18-5-4-6-20(14-18)29(32)33)7-12-22(23)36-16-24(30)27-19-8-10-21(34-2)11-9-19/h4-15H,3,16H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide?
N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide has a molecular weight of 492.49 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 4265248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).