2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide

C17H17N3O4 — CID 758143

IUPAC2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-12-8-9-16(15(10-12)20(22)23)24-11-17(21)19-18-13(2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyGISXFWYPNIBTLF-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.82
Rot. Bonds6

About 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide

2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide (PubChem CID 758143) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
PubChem CID758143
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-12-8-9-16(15(10-12)20(22)23)24-11-17(21)19-18-13(2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyGISXFWYPNIBTLF-UHFFFAOYSA-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

N-[1-(furan-2-yl)ethylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 2833196
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
N-[3-[(E)-C-methyl-N-[[2-(4-methyl-2-nitrophenoxy)acetyl]amino]carbonimidoyl]phenyl]cyclopentanecarboxamide
CID 17349536
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-[(Z)-1-(2-methylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9466904
2-(4-methyl-2-nitrophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 1245758
2-(2-methylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 5404940
[2-methoxy-4-[(Z)-[[2-(4-methyl-2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 41031518
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide?
The IUPAC name of 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide (CID 758143) is 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide is CC(=NNC(=O)COc1ccc(C)cc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide?
The InChIKey is GISXFWYPNIBTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-12-8-9-16(15(10-12)20(22)23)24-11-17(21)19-18-13(2)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide?
2-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)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-(4-methyl-2-nitrophenoxy)-N-(1-phenylethylideneamino)acetamide is sourced from PubChem (CID 758143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).