(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione

C20H20N2O3 — CID 102466386

IUPAC(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione
SMILESCN1C(=O)N(C)[C@H]2OC(c3ccccc3)(c3ccccc3)[C@@]2(C)C1=O
InChIInChI=1S/C20H20N2O3/c1-19-16(23)21(2)18(24)22(3)17(19)25-20(19,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,17H,1-3H3/t17-,19-/m0/s1
InChIKeyRZBKOAXPKCMKNK-HKUYNNGSSA-N
MW336.39 g/mol
LogP2.82
Rot. Bonds2

About (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione

(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione (PubChem CID 102466386) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione.

Molecular Properties

Compound Name(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione
PubChem CID102466386
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione
SMILESCN1C(=O)N(C)[C@H]2OC(c3ccccc3)(c3ccccc3)[C@@]2(C)C1=O
InChIInChI=1S/C20H20N2O3/c1-19-16(23)21(2)18(24)22(3)17(19)25-20(19,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,17H,1-3H3/t17-,19-/m0/s1
InChIKeyRZBKOAXPKCMKNK-HKUYNNGSSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione with MolForge

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Related Compounds

(1S,6R)-7,7-bis(4-fluorophenyl)-2,4,6-trimethyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione
CID 11462899
1,3-dimethyl-5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione
CID 71388254
(3aS,8aS)-2,2,5,7-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 102457932
1,5-dimethyl-5-phenyl-3-trimethylsilylimidazolidine-2,4-dione
CID 140848482
3-tert-butyl-6-methyl-7a-phenyl-1,3-dihydroimidazo[1,5-c][1,3]oxazole-5,7-dione
CID 135143589
1-methoxy-3-methyl-5,5-diphenyl-1,3-diazinane-2,4,6-trione
CID 161316865
(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
CID 102008054
ethane;3,5,5-trimethyl-1-phenylimidazolidine-2,4-dione
CID 90723547
3-ethyl-3,4-dimethyl-2,2-diphenyloxetane
CID 165355883
3,4,5-trimethyl-4-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 69050708
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
(2R,3R)-2-methyl-2,3-diphenyloxirane
CID 11031103

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The IUPAC name of (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione (CID 102466386) is (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione.
What is the SMILES notation for (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The canonical SMILES for (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione is CN1C(=O)N(C)[C@H]2OC(c3ccccc3)(c3ccccc3)[C@@]2(C)C1=O.
What is the InChIKey of (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
The InChIKey is RZBKOAXPKCMKNK-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-19-16(23)21(2)18(24)22(3)17(19)25-20(19,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,17H,1-3H3/t17-,19-/m0/s1.
What are the key properties of (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione?
(1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione has a molecular weight of 336.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-2,4,6-trimethyl-7,7-diphenyl-8-oxa-2,4-diazabicyclo[4.2.0]octane-3,5-dione is sourced from PubChem (CID 102466386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).