2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione

C19H22N2O7 — CID 168537523

IUPAC2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=CNc2cccc(OCC(=O)N3CCOCC3)c2)C(=O)O1
InChIInChI=1S/C19H22N2O7/c1-19(2)27-17(23)15(18(24)28-19)11-20-13-4-3-5-14(10-13)26-12-16(22)21-6-8-25-9-7-21/h3-5,10-11,20H,6-9,12H2,1-2H3
InChIKeyFWZMPKQUCDIXTQ-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.06
Rot. Bonds5

About 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione

2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione (PubChem CID 168537523) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione
PubChem CID168537523
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione
SMILESCC1(C)OC(=O)C(=CNc2cccc(OCC(=O)N3CCOCC3)c2)C(=O)O1
InChIInChI=1S/C19H22N2O7/c1-19(2)27-17(23)15(18(24)28-19)11-20-13-4-3-5-14(10-13)26-12-16(22)21-6-8-25-9-7-21/h3-5,10-11,20H,6-9,12H2,1-2H3
InChIKeyFWZMPKQUCDIXTQ-UHFFFAOYSA-N
XLogP1.06
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione with MolForge

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Related Compounds

2-(3-acetylphenoxy)-1-morpholin-4-ylethanone
CID 685737
(1Z)-2-amino-2-imino-N-[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]ethanimidoyl cyanide
CID 172976707
5-[[3-(azepane-1-carbonyl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 26159639
1-[(1-ethylpyrazol-4-yl)methyl]-3-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
CID 72929033
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione?
The IUPAC name of 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione (CID 168537523) is 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione?
The canonical SMILES for 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione is CC1(C)OC(=O)C(=CNc2cccc(OCC(=O)N3CCOCC3)c2)C(=O)O1.
What is the InChIKey of 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione?
The InChIKey is FWZMPKQUCDIXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-19(2)27-17(23)15(18(24)28-19)11-20-13-4-3-5-14(10-13)26-12-16(22)21-6-8-25-9-7-21/h3-5,10-11,20H,6-9,12H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione?
2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione has a molecular weight of 390.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[[3-(2-morpholin-4-yl-2-oxoethoxy)anilino]methylidene]-1,3-dioxane-4,6-dione is sourced from PubChem (CID 168537523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).