N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide

C21H26N2O2 — CID 7702529

IUPACN-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
SMILESCCc1cccc(C)c1NC(=O)CO/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-5-18-8-6-7-16(4)21(18)23-20(24)14-25-22-13-17-9-11-19(12-10-17)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,24)/b22-13-
InChIKeyVOAXRDLURMCZIP-XKZIYDEJSA-N
MW338.45 g/mol
LogP4.67
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide

N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide (PubChem CID 7702529) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
PubChem CID7702529
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
SMILESCCc1cccc(C)c1NC(=O)CO/N=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-5-18-8-6-7-16(4)21(18)23-20(24)14-25-22-13-17-9-11-19(12-10-17)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,24)/b22-13-
InChIKeyVOAXRDLURMCZIP-XKZIYDEJSA-N
XLogP4.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
CID 7700741
2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxy-N-(2,4,6-trichlorophenyl)acetamide
CID 7702368
N-[2,6-di(propan-2-yl)phenyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705493
N-(2,4-dimethylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 7702407
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxy-N-(4-propan-2-ylphenyl)acetamide
CID 6909247
N-(2-methylsulfonylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 9355558
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366
N-(2-ethyl-6-methylphenyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19178089
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126263849
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(2,6-dichlorophenoxy)acetate
CID 2467910
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide (CID 7702529) is N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide is CCc1cccc(C)c1NC(=O)CO/N=C\c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
The InChIKey is VOAXRDLURMCZIP-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-18-8-6-7-16(4)21(18)23-20(24)14-25-22-13-17-9-11-19(12-10-17)15(2)3/h6-13,15H,5,14H2,1-4H3,(H,23,24)/b22-13-.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide?
N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide has a molecular weight of 338.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7702529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).