2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one

C18H19NO3 — CID 154722316

IUPAC2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
SMILESCC1(C)OC2(C=CC=CC=C2)N(OCc2ccccc2)C1=O
InChIInChI=1S/C18H19NO3/c1-17(2)16(20)19(21-14-15-10-6-5-7-11-15)18(22-17)12-8-3-4-9-13-18/h3-13H,14H2,1-2H3
InChIKeyKGMMAEUWABQQTP-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.13
Rot. Bonds3

About 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one

2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one (PubChem CID 154722316) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one.

Molecular Properties

Compound Name2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
PubChem CID154722316
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
SMILESCC1(C)OC2(C=CC=CC=C2)N(OCc2ccccc2)C1=O
InChIInChI=1S/C18H19NO3/c1-17(2)16(20)19(21-14-15-10-6-5-7-11-15)18(22-17)12-8-3-4-9-13-18/h3-13H,14H2,1-2H3
InChIKeyKGMMAEUWABQQTP-UHFFFAOYSA-N
XLogP3.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139095446
5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
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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
(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
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5,5-dimethyl-3-(2-phenylmethoxyethyl)-1,3-oxazolidine-2,4-dione
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(1S,2R,5S)-1,5-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 11032569
(1R,2S,5R)-1,5-dimethyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 101362915
6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
CID 101450898
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
CID 71333879
(5R)-6-methoxy-1-phenylmethoxy-1-azaspiro[4.5]deca-6,9-diene-2,8-dione
CID 101391074
2-iodo-8a-methyl-3-(2-phenylmethoxyethyl)indolizin-1-one
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one?
The IUPAC name of 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one (CID 154722316) is 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one.
What is the SMILES notation for 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one?
The canonical SMILES for 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one is CC1(C)OC2(C=CC=CC=C2)N(OCc2ccccc2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one?
The InChIKey is KGMMAEUWABQQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-17(2)16(20)19(21-14-15-10-6-5-7-11-15)18(22-17)12-8-3-4-9-13-18/h3-13H,14H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one?
2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one has a molecular weight of 297.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one is sourced from PubChem (CID 154722316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).