N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

C20H22N4O6 — CID 7667509

IUPACN-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCCc1cccc(C)c1NC(=O)CO/N=C\C(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C20H22N4O6/c1-4-14-7-5-6-13(2)20(14)23-19(26)12-30-21-11-18(25)22-16-9-8-15(24(27)28)10-17(16)29-3/h5-11H,4,12H2,1-3H3,(H,22,25)(H,23,26)/b21-11-
InChIKeyYNOHXOOYCWCHDV-NHDPSOOVSA-N
MW414.42 g/mol
LogP3.05
Rot. Bonds9

About N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide

N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (PubChem CID 7667509) has the molecular formula C20H22N4O6 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
PubChem CID7667509
Molecular FormulaC20H22N4O6
Molecular Weight414.42 g/mol
Exact Mass414.15
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
SMILESCCc1cccc(C)c1NC(=O)CO/N=C\C(=O)Nc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C20H22N4O6/c1-4-14-7-5-6-13(2)20(14)23-19(26)12-30-21-11-18(25)22-16-9-8-15(24(27)28)10-17(16)29-3/h5-11H,4,12H2,1-3H3,(H,22,25)(H,23,26)/b21-11-
InChIKeyYNOHXOOYCWCHDV-NHDPSOOVSA-N
XLogP3.05
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-cyclopropyl-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7667368
1-(2-ethyl-6-methylphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 17382753
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7700952
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149
(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
CID 7667491
(2Z)-N-(2-methoxy-4-nitrophenyl)-2-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethoxy]iminoacetamide
CID 7667489
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847523
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 2700954
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
1-[(2-ethylphenoxy)methyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108893258

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide (CID 7667509) is N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is CCc1cccc(C)c1NC(=O)CO/N=C\C(=O)Nc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
The InChIKey is YNOHXOOYCWCHDV-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H22N4O6/c1-4-14-7-5-6-13(2)20(14)23-19(26)12-30-21-11-18(25)22-16-9-8-15(24(27)28)10-17(16)29-3/h5-11H,4,12H2,1-3H3,(H,22,25)(H,23,26)/b21-11-.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide?
N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide has a molecular weight of 414.42 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(Z)-[2-(2-methoxy-4-nitroanilino)-2-oxoethylidene]amino]oxyacetamide is sourced from PubChem (CID 7667509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).