4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide

C18H20N4O4 — CID 134130099

IUPAC4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
SMILESCN(C)CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N4O4/c1-21(2)11-12-26-17-9-5-15(6-10-17)18(23)20-19-13-14-3-7-16(8-4-14)22(24)25/h3-10,13H,11-12H2,1-2H3,(H,20,23)/b19-13+
InChIKeyZEWYWKHNYUSDLB-CPNJWEJPSA-N
MW356.38 g/mol
LogP2.30
Rot. Bonds8

About 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide

4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide (PubChem CID 134130099) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
PubChem CID134130099
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
SMILESCN(C)CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H20N4O4/c1-21(2)11-12-26-17-9-5-15(6-10-17)18(23)20-19-13-14-3-7-16(8-4-14)22(24)25/h3-10,13H,11-12H2,1-2H3,(H,20,23)/b19-13+
InChIKeyZEWYWKHNYUSDLB-CPNJWEJPSA-N
XLogP2.30
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.30
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

N'-{5-chloro-2-nitrobenzylidene}-4-ethoxybenzohydrazide
CID 9648782
4-ethoxy-N'-{2-nitrobenzylidene}benzohydrazide
CID 5332371
4-Nitro-benzoic acid 4-[(2-p-tolyl-acetyl)-hydrazonomethyl]-phenyl ester
CID 9564182
2-{4-[(4-Hydroxy-benzoyl)-hydrazonomethyl]-phenoxy}-N-(4-nitro-phenyl)-acetamide
CID 9593324
2-[4-(Benzoyl-hydrazonomethyl)-phenoxy]-N-(4-nitro-phenyl)-acetamide
CID 9593398
4-Methoxy-benzoic acid 4-{[2-(4-nitro-phenyl)-acetyl]-hydrazonomethyl}-phenyl ester
CID 9593799
3-Methyl-benzoic acid 4-{[2-(4-nitro-phenyl)-acetyl]-hydrazonomethyl}-phenyl ester
CID 9593800
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-octoxybenzamide
CID 145959595
3,4-Dimethoxy-N'-(4-nitrobenzylidene)benzohydrazide
CID 6868893
4-Methoxybenzoic (3-nitrobenzylidene)hydrazide
CID 9554822
N'-[(E)-(5-nitrofuran-2-yl)methylidene]-4-propoxybenzohydrazide
CID 6866928
4-ethoxy-N'-({5-nitro-2-furyl}methylene)benzohydrazide
CID 6868357

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide (CID 134130099) is 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide is CN(C)CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
The InChIKey is ZEWYWKHNYUSDLB-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-21(2)11-12-26-17-9-5-15(6-10-17)18(23)20-19-13-14-3-7-16(8-4-14)22(24)25/h3-10,13H,11-12H2,1-2H3,(H,20,23)/b19-13+.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide?
4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide has a molecular weight of 356.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 134130099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).