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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Related Compounds

2-ethoxyethyl 2,6-dimethyl-N-(4-methylbenzoyl)morpholine-4-carboximidate
CID 3893137
N-(2,6-dimethylmorpholine-4-carbothioyl)-1,3-benzodioxole-5-carboxamide
CID 18823179
2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 17310233
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2580378
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 51326046
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 35842118
propyl N'-(1,3-benzodioxole-5-carbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 7265416
1-(1,3-benzodioxol-5-yl)-2-[bis(2-methoxyethyl)amino]ethanone
CID 60679019
1,3-benzodioxol-5-yl-[(3S,4S)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 133109841
1,3-benzodioxol-5-yl-(2-benzyl-6-methylmorpholin-4-yl)methanone
CID 110644171
N-(4-amino-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152620
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745

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).