2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide

C23H22N2O5 — CID 76878445

IUPAC2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide
SMILESCC(=NOCC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O5/c1-17(19-9-10-21-22(12-19)29-16-28-21)24-30-15-23(26)25(14-20-8-5-11-27-20)13-18-6-3-2-4-7-18/h2-12H,13-16H2,1H3
InChIKeyNUOXVZLWGGQIGA-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.98
Rot. Bonds8

About 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide

2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 76878445) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide
PubChem CID76878445
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide
SMILESCC(=NOCC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O5/c1-17(19-9-10-21-22(12-19)29-16-28-21)24-30-15-23(26)25(14-20-8-5-11-27-20)13-18-6-3-2-4-7-18/h2-12H,13-16H2,1H3
InChIKeyNUOXVZLWGGQIGA-UHFFFAOYSA-N
XLogP3.98
TPSA73.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 42773032
2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 60606007
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate
CID 41295198
2-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-(3-phenylpropyl)acetamide
CID 60605299
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557
[2-(dimethylamino)-2-oxoethyl] 2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxyacetate
CID 8537840
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-butan-2-yl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 5041792
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 42724577
2-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-pentan-3-ylacetamide
CID 60605268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide (CID 76878445) is 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide is CC(=NOCC(=O)N(Cc1ccccc1)Cc1ccco1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NUOXVZLWGGQIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-17(19-9-10-21-22(12-19)29-16-28-21)24-30-15-23(26)25(14-20-8-5-11-27-20)13-18-6-3-2-4-7-18/h2-12H,13-16H2,1H3.
What are the key properties of 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide?
2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-benzodioxol-5-yl)ethylideneamino]oxy-N-benzyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 76878445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).