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

C18H21NO6 — CID 42801011

IUPAC5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(N2CCOCC2)c1
InChIInChI=1S/C18H21NO6/c1-18(2)24-16(20)14(17(21)25-18)10-12-4-5-13(22-3)11-15(12)19-6-8-23-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyGGAOVGXWCDGWNV-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.75
Rot. Bonds3

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

5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (PubChem CID 42801011) has the molecular formula C18H21NO6 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
PubChem CID42801011
Molecular FormulaC18H21NO6
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SMILESCOc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(N2CCOCC2)c1
InChIInChI=1S/C18H21NO6/c1-18(2)24-16(20)14(17(21)25-18)10-12-4-5-13(22-3)11-15(12)19-6-8-23-9-7-19/h4-5,10-11H,6-9H2,1-3H3
InChIKeyGGAOVGXWCDGWNV-UHFFFAOYSA-N
XLogP1.75
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.75
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'}

Analyze 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-ethenyl-5-methoxyphenyl)morpholine
CID 67806391
5-[[2-(benzenesulfonyl)-4-methoxyphenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600452
5-[(5-methoxy-2-prop-2-ynoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168600062
2-[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-5-methoxyphenoxy]acetonitrile
CID 168600189
2,2-dimethyl-5-[[2-(2-morpholin-4-ylethoxy)phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168599804
5-[[2-(3-methoxyphenoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598306
2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
CID 2733006
tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate
CID 133053467
3-[(2,5-dimethoxyphenyl)methylidene]-1-(morpholin-4-ylmethyl)indol-2-one
CID 91050596
2-(6-methoxy-4-morpholin-4-ylnaphthalen-2-yl)acetaldehyde
CID 87349603
(3S)-5-methoxy-3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
CID 155934480
5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1338996

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The IUPAC name of 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CID 42801011) is 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
What is the SMILES notation for 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The canonical SMILES for 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(N2CCOCC2)c1.
What is the InChIKey of 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The InChIKey is GGAOVGXWCDGWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6/c1-18(2)24-16(20)14(17(21)25-18)10-12-4-5-13(22-3)11-15(12)19-6-8-23-9-7-19/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has a molecular weight of 347.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-2-morpholin-4-ylphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is sourced from PubChem (CID 42801011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).