(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one

C20H21NO4 — CID 101180547

IUPAC(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one
SMILESCOc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@@]23CCCO3)cc1
InChIInChI=1S/C20H21NO4/c1-23-16-8-4-14(5-9-16)18-20(12-3-13-25-20)19(22)21(18)15-6-10-17(24-2)11-7-15/h4-11,18H,3,12-13H2,1-2H3/t18-,20-/m1/s1
InChIKeyLKPVLFVHFOMUIT-UYAOXDASSA-N
MW339.39 g/mol
LogP3.34
Rot. Bonds4

About (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one

(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one (PubChem CID 101180547) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one
PubChem CID101180547
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one
SMILESCOc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@@]23CCCO3)cc1
InChIInChI=1S/C20H21NO4/c1-23-16-8-4-14(5-9-16)18-20(12-3-13-25-20)19(22)21(18)15-6-10-17(24-2)11-7-15/h4-11,18H,3,12-13H2,1-2H3/t18-,20-/m1/s1
InChIKeyLKPVLFVHFOMUIT-UYAOXDASSA-N
XLogP3.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
CID 175653518
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
CID 101180542
(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one
CID 90667211
(1R,4R)-2-methyl-1-phenyl-5-oxa-2-azaspiro[3.4]octan-3-one
CID 101180553
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-(4-methoxyphenyl)azetidin-2-one
CID 828811
(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
(2S)-2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 915634
2-(4-methoxyphenyl)-1,3-dioxaspiro[5.5]undecane
CID 586240
2-(4-methoxyphenyl)-1-oxaspiro[4.5]decan-4-one
CID 71394804
4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one
CID 11834088

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one?
The IUPAC name of (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one (CID 101180547) is (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one is COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)[C@@]23CCCO3)cc1.
What is the InChIKey of (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one?
The InChIKey is LKPVLFVHFOMUIT-UYAOXDASSA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-16-8-4-14(5-9-16)18-20(12-3-13-25-20)19(22)21(18)15-6-10-17(24-2)11-7-15/h4-11,18H,3,12-13H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one?
(1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one has a molecular weight of 339.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1,2-bis(4-methoxyphenyl)-5-oxa-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 101180547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).