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

C22H21NO3 — CID 171340585

IUPAC4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)C23CCCCO3)c1
InChIInChI=1S/C22H21NO3/c1-16-8-7-9-17(14-16)15-19-20(24)23(18-10-3-2-4-11-18)21(25)22(19)12-5-6-13-26-22/h2-4,7-11,14-15H,5-6,12-13H2,1H3
InChIKeyMEUNUELXHBXGGR-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.89
Rot. Bonds2

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

4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 171340585) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
PubChem CID171340585
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
SMILESCc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)C23CCCCO3)c1
InChIInChI=1S/C22H21NO3/c1-16-8-7-9-17(14-16)15-19-20(24)23(18-10-3-2-4-11-18)21(25)22(19)12-5-6-13-26-22/h2-4,7-11,14-15H,5-6,12-13H2,1H3
InChIKeyMEUNUELXHBXGGR-UHFFFAOYSA-N
XLogP3.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(4-methoxyphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 171340582
(4E)-2-(4-chlorophenyl)-4-[(4-methylphenyl)methylidene]-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 170913241
2-(4-methylphenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-6-oxa-2-azaspiro[4.5]decane-1,3-dione
CID 171340608
1-(3,5-dimethylphenyl)-5-[(3-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2884900
2-(3-methylphenyl)-1,2,4-triazaspiro[4.6]undecan-3-one
CID 46367653
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 71898426
(5Z)-3-(4-chlorophenyl)-5-[(3-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840493
(4E)-2-cyclohexylsulfanyl-5,5-dimethyl-4-[(3-methylphenyl)methylidene]-1H-pyrimidin-6-one
CID 135524590
(6Z)-6-[(3-methylphenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 92525608
(3Z)-3-[(3-methylphenyl)methylidene]chromen-4-one
CID 2623286
4-benzylidene-5-methyl-2-(3-methylphenyl)pyrazol-3-one
CID 171480666

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione (CID 171340585) is 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione is Cc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)C23CCCCO3)c1.
What is the InChIKey of 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is MEUNUELXHBXGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-16-8-7-9-17(14-16)15-19-20(24)23(18-10-3-2-4-11-18)21(25)22(19)12-5-6-13-26-22/h2-4,7-11,14-15H,5-6,12-13H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione?
4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 347.41 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methylidene]-2-phenyl-6-oxa-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 171340585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).