2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide

C18H19N3O4 — CID 2415241

IUPAC2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CON=Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C18H19N3O4/c1-14(2)20(16-8-4-3-5-9-16)18(22)13-25-19-12-15-7-6-10-17(11-15)21(23)24/h3-12,14H,13H2,1-2H3
InChIKeyAPJKDAOJMPREKM-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.39
Rot. Bonds7

About 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide

2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide (PubChem CID 2415241) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide
PubChem CID2415241
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)CON=Cc1cccc([N+](=O)[O-])c1)c1ccccc1
InChIInChI=1S/C18H19N3O4/c1-14(2)20(16-8-4-3-5-9-16)18(22)13-25-19-12-15-7-6-10-17(11-15)21(23)24/h3-12,14H,13H2,1-2H3
InChIKeyAPJKDAOJMPREKM-UHFFFAOYSA-N
XLogP3.39
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
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

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-amino-4-nitrobenzoate
CID 7149018
N-(4-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
CID 7919493
1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
CID 6902967
2-[(3-nitrophenyl)methylideneamino]propanoic acid
CID 122707222
1-[4-[[(Z)-(3-nitrophenyl)methylideneamino]oxymethyl]phenyl]ethanone
CID 9172281
N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
CID 2850900
2-[(Z)-[2-(3-nitroanilino)-2-oxoethylidene]amino]oxy-N,N-di(propan-2-yl)acetamide
CID 7666686
ethyl 4-[[(3-nitrophenyl)methylideneamino]oxymethyl]benzoate
CID 71833883
2-(3-formylphenoxy)-N-phenyl-N-propan-2-ylacetamide
CID 78760080
4-hydroxy-N-[(3-nitrophenyl)methylideneamino]pentanamide
CID 2832941
ethyl 2-(3-nitro-N-propan-2-ylanilino)acetate
CID 62006090
(E)-N-[3-(3,5-dimethylphenoxy)propoxy]-1-(3-nitrophenyl)methanimine
CID 16960354

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide (CID 2415241) is 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide is CC(C)N(C(=O)CON=Cc1cccc([N+](=O)[O-])c1)c1ccccc1.
What is the InChIKey of 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is APJKDAOJMPREKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-14(2)20(16-8-4-3-5-9-16)18(22)13-25-19-12-15-7-6-10-17(11-15)21(23)24/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide?
2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 341.37 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitrophenyl)methylideneamino]oxy-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 2415241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).