2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate

C18H24N2O6 — CID 4309380

IUPAC2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate
SMILESCOCCO/C(=N\C(=O)c1ccc2c(c1)OCO2)N1CC(C)OC(C)C1
InChIInChI=1S/C18H24N2O6/c1-12-9-20(10-13(2)26-12)18(23-7-6-22-3)19-17(21)14-4-5-15-16(8-14)25-11-24-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3/b19-18-
InChIKeyJRVPVKRVMXXKNL-HNENSFHCSA-N
MW364.40 g/mol
LogP1.68
Rot. Bonds4

About 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate

2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate (PubChem CID 4309380) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate.

Molecular Properties

Compound Name2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate
PubChem CID4309380
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate
SMILESCOCCO/C(=N\C(=O)c1ccc2c(c1)OCO2)N1CC(C)OC(C)C1
InChIInChI=1S/C18H24N2O6/c1-12-9-20(10-13(2)26-12)18(23-7-6-22-3)19-17(21)14-4-5-15-16(8-14)25-11-24-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3/b19-18-
InChIKeyJRVPVKRVMXXKNL-HNENSFHCSA-N
XLogP1.68
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate?
The IUPAC name of 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate (CID 4309380) is 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate.
What is the SMILES notation for 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate?
The canonical SMILES for 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate is COCCO/C(=N\C(=O)c1ccc2c(c1)OCO2)N1CC(C)OC(C)C1.
What is the InChIKey of 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate?
The InChIKey is JRVPVKRVMXXKNL-HNENSFHCSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-12-9-20(10-13(2)26-12)18(23-7-6-22-3)19-17(21)14-4-5-15-16(8-14)25-11-24-15/h4-5,8,12-13H,6-7,9-11H2,1-3H3/b19-18-.
What are the key properties of 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate?
2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate has a molecular weight of 364.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(1,3-benzodioxole-5-carbonyl)-2,6-dimethylmorpholine-4-carboximidate is sourced from PubChem (CID 4309380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).