N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide

C12H15N3O4 — CID 94833655

IUPACN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c1-8(2)12(16)14-13-7-9-4-5-11(19-3)10(6-9)15(17)18/h4-8H,1-3H3,(H,14,16)/b13-7+
InChIKeyHMWWEPREUPKXLK-NTUHNPAUSA-N
MW265.27 g/mol
LogP1.71
Rot. Bonds5

About N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide (PubChem CID 94833655) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
PubChem CID94833655
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
SMILESCOc1ccc(/C=N/NC(=O)C(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15N3O4/c1-8(2)12(16)14-13-7-9-4-5-11(19-3)10(6-9)15(17)18/h4-8H,1-3H3,(H,14,16)/b13-7+
InChIKeyHMWWEPREUPKXLK-NTUHNPAUSA-N
XLogP1.71
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 46497943
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]acetamide
CID 110525209
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5132547
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-3-(4-methylphenyl)sulfanylpropanamide
CID 126126416

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide?
The IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide (CID 94833655) is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide?
The canonical SMILES for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide is COc1ccc(/C=N/NC(=O)C(C)C)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide?
The InChIKey is HMWWEPREUPKXLK-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-8(2)12(16)14-13-7-9-4-5-11(19-3)10(6-9)15(17)18/h4-8H,1-3H3,(H,14,16)/b13-7+.
What are the key properties of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide?
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide has a molecular weight of 265.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide is sourced from PubChem (CID 94833655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).