2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one

C25H24N2O3 — CID 154723152

IUPAC2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
SMILESCN1OC(C)(C)C(=O)N(OCc2ccccc2)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C25H24N2O3/c1-24(2)23(28)27(29-17-18-11-5-4-6-12-18)25(26(3)30-24)21-15-9-7-13-19(21)20-14-8-10-16-22(20)25/h4-16H,17H2,1-3H3
InChIKeyLWLBGXPKHCDMPU-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.48
Rot. Bonds3

About 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one

2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one (PubChem CID 154723152) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one.

Molecular Properties

Compound Name2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
PubChem CID154723152
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
SMILESCN1OC(C)(C)C(=O)N(OCc2ccccc2)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C25H24N2O3/c1-24(2)23(28)27(29-17-18-11-5-4-6-12-18)25(26(3)30-24)21-15-9-7-13-19(21)20-14-8-10-16-22(20)25/h4-16H,17H2,1-3H3
InChIKeyLWLBGXPKHCDMPU-UHFFFAOYSA-N
XLogP4.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2',7'-dibromo-2-[(E)-but-2-en-2-yl]-6,6-dimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723155
2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
CID 154722316
2-[(E)-but-2-en-2-yl]-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723158
4-benzyl-2-[(E)-but-2-en-2-yl]-6,6-dimethylspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723160
(2S,2'Z)-2'-benzylidene-5,5-dimethyl-3-phenylmethoxyspiro[1,3-oxazolidine-2,3'-1-benzofuran]-4-one
CID 139095446
5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
CID 72841415
3,3-dimethyl-7-phenylmethoxy-2-benzofuran-1-one
CID 15261919
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
CID 71333879
5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
CID 141466755
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
benzyl (4R)-2-amino-1',2'-dimethyl-5'-oxospiro[indeno[2,1-d][1,3]oxazole-4,4'-pyrrole]-3'-carboxylate
CID 29056079

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
The IUPAC name of 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one (CID 154723152) is 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one.
What is the SMILES notation for 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
The canonical SMILES for 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one is CN1OC(C)(C)C(=O)N(OCc2ccccc2)C12c1ccccc1-c1ccccc12.
What is the InChIKey of 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
The InChIKey is LWLBGXPKHCDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-24(2)23(28)27(29-17-18-11-5-4-6-12-18)25(26(3)30-24)21-15-9-7-13-19(21)20-14-8-10-16-22(20)25/h4-16H,17H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one?
2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one has a molecular weight of 400.48 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one is sourced from PubChem (CID 154723152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).