N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

C17H16N2O4 — CID 7705267

IUPACN-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O4/c1-12-2-4-13(5-3-12)9-18-23-10-17(20)19-14-6-7-15-16(8-14)22-11-21-15/h2-9H,10-11H2,1H3,(H,19,20)/b18-9-
InChIKeyKYDZAOJFPHPBNK-NVMNQCDNSA-N
MW312.32 g/mol
LogP2.71
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide

N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (PubChem CID 7705267) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
PubChem CID7705267
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
SMILESCc1ccc(/C=N\OCC(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O4/c1-12-2-4-13(5-3-12)9-18-23-10-17(20)19-14-6-7-15-16(8-14)22-11-21-15/h2-9H,10-11H2,1H3,(H,19,20)/b18-9-
InChIKeyKYDZAOJFPHPBNK-NVMNQCDNSA-N
XLogP2.71
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]iminomethyl]benzoate
CID 2084780
2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide
CID 2695601
N-(2,3-dihydro-1H-inden-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705544
N-(3-chloro-4-methylphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705226
N-(3-bromophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705224
4-[[2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetyl]amino]benzamide
CID 7705350
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-[2-(2,4-dimethylanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7665884
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-[(Z)-(4-methylphenyl)methylideneamino]oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7705192
N-(5-methyl-1,2-oxazol-3-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705533
2-[(E)-1-(4-acetamidophenyl)ethylideneamino]oxy-N-(1,3-benzodioxol-5-yl)acetamide
CID 46698539

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide (CID 7705267) is N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is Cc1ccc(/C=N\OCC(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
The InChIKey is KYDZAOJFPHPBNK-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12-2-4-13(5-3-12)9-18-23-10-17(20)19-14-6-7-15-16(8-14)22-11-21-15/h2-9H,10-11H2,1H3,(H,19,20)/b18-9-.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide?
N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide has a molecular weight of 312.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 7705267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).