1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one

C21H23NO3 — CID 2945930

IUPAC1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
SMILESCOc1ccc(C2N(c3ccc(OC)cc3)C(=O)C23CCCC3)cc1
InChIInChI=1S/C21H23NO3/c1-24-17-9-5-15(6-10-17)19-21(13-3-4-14-21)20(23)22(19)16-7-11-18(25-2)12-8-16/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyKNCCXERJPCMRDH-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.35
Rot. Bonds4

About 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one

1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one (PubChem CID 2945930) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
PubChem CID2945930
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
SMILESCOc1ccc(C2N(c3ccc(OC)cc3)C(=O)C23CCCC3)cc1
InChIInChI=1S/C21H23NO3/c1-24-17-9-5-15(6-10-17)19-21(13-3-4-14-21)20(23)22(19)16-7-11-18(25-2)12-8-16/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyKNCCXERJPCMRDH-UHFFFAOYSA-N
XLogP4.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one
CID 101180547
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
CID 175653518
(1R)-1-(4-bromophenyl)-2-phenyl-2-azaspiro[3.5]nonan-3-one
CID 1265815
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
CID 828811
(4S)-4-(4-methoxyphenyl)-2-azaspiro[4.4]nonan-1-one
CID 125451516
(4R)-3,3-difluoro-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 1217499
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)-4-phenyl-3-propa-1,2-dienylazetidin-2-one
CID 100929834
1,2-bis(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 70304123
(3S,4R)-1,3-bis(4-methoxyphenyl)-3-methylsulfanyl-4-phenylazetidin-2-one
CID 102160186

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one?
The IUPAC name of 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one (CID 2945930) is 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one is COc1ccc(C2N(c3ccc(OC)cc3)C(=O)C23CCCC3)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one?
The InChIKey is KNCCXERJPCMRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-24-17-9-5-15(6-10-17)19-21(13-3-4-14-21)20(23)22(19)16-7-11-18(25-2)12-8-16/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one?
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one has a molecular weight of 337.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 2945930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).