N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide

C18H18N4O4 — CID 7308891

IUPACN-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O4/c1-13(10-11-14-6-3-2-4-7-14)20-21-18(24)17(23)19-15-8-5-9-16(12-15)22(25)26/h2-9,12H,10-11H2,1H3,(H,19,23)(H,21,24)/b20-13+
InChIKeyXHVXRWCPIUIUDQ-DEDYPNTBSA-N
MW354.37 g/mol
LogP2.66
Rot. Bonds6

About N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide

N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide (PubChem CID 7308891) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
PubChem CID7308891
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
SMILESC/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O4/c1-13(10-11-14-6-3-2-4-7-14)20-21-18(24)17(23)19-15-8-5-9-16(12-15)22(25)26/h2-9,12H,10-11H2,1H3,(H,19,23)(H,21,24)/b20-13+
InChIKeyXHVXRWCPIUIUDQ-DEDYPNTBSA-N
XLogP2.66
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 5331274
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055
(3Z)-3-[(2-methoxyacetyl)hydrazinylidene]-N-(3-nitrophenyl)butanamide
CID 6167457
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
N'-naphthalen-1-yl-N-(3-nitrophenyl)oxamide
CID 108513330
3-(3-aminophenyl)-N-(3-nitrophenyl)propanamide
CID 115341147
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
N'-[1-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200
benzyl-dimethyl-[2-(3-nitroanilino)-2-oxoethyl]azanium bromide
CID 45371036
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-(3-nitrophenyl)oxamide
CID 16891544

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
The IUPAC name of N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide (CID 7308891) is N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide.
What is the SMILES notation for N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
The canonical SMILES for N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide is C/C(CCc1ccccc1)=N\NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
The InChIKey is XHVXRWCPIUIUDQ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-13(10-11-14-6-3-2-4-7-14)20-21-18(24)17(23)19-15-8-5-9-16(12-15)22(25)26/h2-9,12H,10-11H2,1H3,(H,19,23)(H,21,24)/b20-13+.
What are the key properties of N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide?
N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide has a molecular weight of 354.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide is sourced from PubChem (CID 7308891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).