4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione

C22H21NO4 — CID 171340582

IUPAC4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)C23CCCCO3)cc1
InChIInChI=1S/C22H21NO4/c1-26-18-11-9-16(10-12-18)15-19-20(24)23(17-7-3-2-4-8-17)21(25)22(19)13-5-6-14-27-22/h2-4,7-12,15H,5-6,13-14H2,1H3
InChIKeyMWJVOCYERDCWLM-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.59
Rot. Bonds3

About 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione

4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 171340582) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
PubChem CID171340582
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)C23CCCCO3)cc1
InChIInChI=1S/C22H21NO4/c1-26-18-11-9-16(10-12-18)15-19-20(24)23(17-7-3-2-4-8-17)21(25)22(19)13-5-6-14-27-22/h2-4,7-12,15H,5-6,13-14H2,1H3
InChIKeyMWJVOCYERDCWLM-UHFFFAOYSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(4-fluorophenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 170912994
4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 171340585
(2E)-2-[(4-methoxyphenyl)methylidene]-1-phenylindol-3-one
CID 59748679
(5E)-5-[(4-methoxyphenyl)methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 2054849
3-benzylidene-2-(4-methoxyphenyl)isoindol-1-one
CID 3569909
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6068845
(5Z)-5-[(4-methoxyphenyl)methylidene]-3-phenyl-2-selenomorpholin-4-ylimidazol-4-one
CID 11224062
(2E,8R)-2-[(4-methoxyphenyl)methylidene]-6,6-diphenyl-1,5,7,8-tetrahydropyrrolizin-3-one
CID 132551759
methyl 5-[(4-methoxyphenyl)methylidene]-2-methyl-4-oxo-1-phenylpyrrole-3-carboxylate
CID 877194
(2S,3R)-6-[(4-methoxyphenyl)methylidene]-3,4-dimethyl-2-phenyl-1,4-oxazepane-5,7-dione
CID 57318968
(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
CID 10243649
3-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110557556

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione (CID 171340582) is 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione is COc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)C23CCCCO3)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is MWJVOCYERDCWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-26-18-11-9-16(10-12-18)15-19-20(24)23(17-7-3-2-4-8-17)21(25)22(19)13-5-6-14-27-22/h2-4,7-12,15H,5-6,13-14H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 363.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 171340582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).