N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide

C18H18N2O4 — CID 19182935

IUPACN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O4/c1-2-14-5-3-4-6-15(14)22-11-18(21)20-19-10-13-7-8-16-17(9-13)24-12-23-16/h3-10H,2,11-12H2,1H3,(H,20,21)/b19-10+
InChIKeyRQAYXQNOJUFVFR-VXLYETTFSA-N
MW326.35 g/mol
LogP2.51
Rot. Bonds6

About N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide

N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide (PubChem CID 19182935) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide
PubChem CID19182935
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C18H18N2O4/c1-2-14-5-3-4-6-15(14)22-11-18(21)20-19-10-13-7-8-16-17(9-13)24-12-23-16/h3-10H,2,11-12H2,1H3,(H,20,21)/b19-10+
InChIKeyRQAYXQNOJUFVFR-VXLYETTFSA-N
XLogP2.51
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.51
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

N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-tert-butylphenoxy)acetamide
CID 19165092
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 6898858
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 6143206
2-(2-ethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182513
2-(2-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19183036
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]octanamide
CID 6890470
N-(1,3-benzodioxol-5-ylmethylideneamino)octadecanamide
CID 3845709
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6266560
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 5396407
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
[3-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 3568298
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-phenylbutanamide
CID 3442120

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide?
The IUPAC name of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide (CID 19182935) is N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide?
The canonical SMILES for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide is CCc1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide?
The InChIKey is RQAYXQNOJUFVFR-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-14-5-3-4-6-15(14)22-11-18(21)20-19-10-13-7-8-16-17(9-13)24-12-23-16/h3-10H,2,11-12H2,1H3,(H,20,21)/b19-10+.
What are the key properties of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide?
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(2-ethylphenoxy)acetamide is sourced from PubChem (CID 19182935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).