2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione

C19H23NO6 — CID 168599804

IUPAC2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=Cc2ccccc2OCCN2CCOCC2)C(=O)O1
InChIInChI=1S/C19H23NO6/c1-19(2)25-17(21)15(18(22)26-19)13-14-5-3-4-6-16(14)24-12-9-20-7-10-23-11-8-20/h3-6,13H,7-12H2,1-2H3
InChIKeyXPILJUXYBWPXLG-UHFFFAOYSA-N
MW361.39 g/mol
LogP1.62
Rot. Bonds5

About 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione (PubChem CID 168599804) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
PubChem CID168599804
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=Cc2ccccc2OCCN2CCOCC2)C(=O)O1
InChIInChI=1S/C19H23NO6/c1-19(2)25-17(21)15(18(22)26-19)13-14-5-3-4-6-16(14)24-12-9-20-7-10-23-11-8-20/h3-6,13H,7-12H2,1-2H3
InChIKeyXPILJUXYBWPXLG-UHFFFAOYSA-N
XLogP1.62
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-5-[[2-(2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599807
2,2-dimethyl-5-[[2-(3-piperidin-1-ylpropoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599810
5-[[2-(2-hydroxyethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600128
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
2,2-dimethyl-5-[[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168600290
(3Z)-5-fluoro-3-[[3-methyl-4-(2-morpholin-4-ylethoxy)azulen-1-yl]methylidene]-1H-indol-2-one
CID 52946208
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383008
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione (CID 168599804) is 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=Cc2ccccc2OCCN2CCOCC2)C(=O)O1.
What is the InChIKey of 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione?
The InChIKey is XPILJUXYBWPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-19(2)25-17(21)15(18(22)26-19)13-14-5-3-4-6-16(14)24-12-9-20-7-10-23-11-8-20/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione has a molecular weight of 361.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168599804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).