2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide

C17H17N3O4 — CID 5404940

IUPAC2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O4/c1-12-6-3-4-9-16(12)24-11-17(21)19-18-13(2)14-7-5-8-15(10-14)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-13+
InChIKeyJOEPNHHJLJDWLN-QGOAFFKASA-N
MW327.34 g/mol
LogP2.82
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide

2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide (PubChem CID 5404940) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
PubChem CID5404940
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H17N3O4/c1-12-6-3-4-9-16(12)24-11-17(21)19-18-13(2)14-7-5-8-15(10-14)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-13+
InChIKeyJOEPNHHJLJDWLN-QGOAFFKASA-N
XLogP2.82
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.82
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

2-(2,3-dimethylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 23010565
2-(2-fluorophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 7934903
2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 9467669
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 1087227
2-(3,5-dimethylphenoxy)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 927162
N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-2-(2-methylphenoxy)acetamide
CID 54777323
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4014223
N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 6084898
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-4-oxobutanoic acid
CID 3478000

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide (CID 5404940) is 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccccc1C)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
The InChIKey is JOEPNHHJLJDWLN-QGOAFFKASA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12-6-3-4-9-16(12)24-11-17(21)19-18-13(2)14-7-5-8-15(10-14)20(22)23/h3-10H,11H2,1-2H3,(H,19,21)/b18-13+.
What are the key properties of 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide?
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide has a molecular weight of 327.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 5404940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).