N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

C16H23N3O4 — CID 9354539

IUPACN-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCCNC(=O)NC(=O)CO/N=C\c1ccc(OCC)cc1
InChIInChI=1S/C16H23N3O4/c1-3-5-10-17-16(21)19-15(20)12-23-18-11-13-6-8-14(9-7-13)22-4-2/h6-9,11H,3-5,10,12H2,1-2H3,(H2,17,19,20,21)/b18-11-
InChIKeyCZQAASKLZDCNFA-WQRHYEAKSA-N
MW321.38 g/mol
LogP2.06
Rot. Bonds9

About N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide

N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (PubChem CID 9354539) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
PubChem CID9354539
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
SMILESCCCCNC(=O)NC(=O)CO/N=C\c1ccc(OCC)cc1
InChIInChI=1S/C16H23N3O4/c1-3-5-10-17-16(21)19-15(20)12-23-18-11-13-6-8-14(9-7-13)22-4-2/h6-9,11H,3-5,10,12H2,1-2H3,(H2,17,19,20,21)/b18-11-
InChIKeyCZQAASKLZDCNFA-WQRHYEAKSA-N
XLogP2.06
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(butylcarbamoyl)-2-(4-ethoxyphenoxy)acetamide
CID 9353681
2-[(Z)-(4-ethylphenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7699310
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
N-(3,5-dimethylphenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669707
2-[(Z)-(3-fluorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7704785
4-[2-(butylcarbamoylamino)-2-oxoethoxy]benzoic acid
CID 43214758
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7919102
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
N-(2-chloro-4-fluorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide
CID 7669670
ethyl 2-[[2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7669857

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide (CID 9354539) is N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is CCCCNC(=O)NC(=O)CO/N=C\c1ccc(OCC)cc1.
What is the InChIKey of N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is CZQAASKLZDCNFA-WQRHYEAKSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-5-10-17-16(21)19-15(20)12-23-18-11-13-6-8-14(9-7-13)22-4-2/h6-9,11H,3-5,10,12H2,1-2H3,(H2,17,19,20,21)/b18-11-.
What are the key properties of N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide?
N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 321.38 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 9354539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).