(1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane

C19H19NO3 — CID 10448050

IUPAC(1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane
SMILESc1ccc([C@@H]2[C@H]3[C@@H]4OC[C@H](C[C@H]3ON2c2ccccc2)O4)cc1
InChIInChI=1S/C19H19NO3/c1-3-7-13(8-4-1)18-17-16(11-15-12-21-19(17)22-15)23-20(18)14-9-5-2-6-10-14/h1-10,15-19H,11-12H2/t15-,16+,17-,18+,19+/m0/s1
InChIKeyQEVYTHZHXHXWOC-ZWJWXYIHSA-N
MW309.37 g/mol
LogP3.31
Rot. Bonds2

About (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane

(1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane (PubChem CID 10448050) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane.

Molecular Properties

Compound Name(1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane
PubChem CID10448050
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane
SMILESc1ccc([C@@H]2[C@H]3[C@@H]4OC[C@H](C[C@H]3ON2c2ccccc2)O4)cc1
InChIInChI=1S/C19H19NO3/c1-3-7-13(8-4-1)18-17-16(11-15-12-21-19(17)22-15)23-20(18)14-9-5-2-6-10-14/h1-10,15-19H,11-12H2/t15-,16+,17-,18+,19+/m0/s1
InChIKeyQEVYTHZHXHXWOC-ZWJWXYIHSA-N
XLogP3.31
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane with MolForge

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Related Compounds

cis-5-(6-(1,3-Dioxan-2-YL)hexyl)-trans-4-(cis-1-octenyl)-2,ref.-3-diphenylisoxazolidine
CID 101607941
(1R,2S,6R,9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
CID 11508502
(1R,2S,6R,9S,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
CID 11667393
(1R,2S,5S,6R,8R)-4,5-diphenyl-3,9,11-trioxa-4-azatricyclo[6.2.1.02,6]undecan-7-one
CID 14035070
(1R,9S,10R,14R)-9,12,12-trimethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
CID 24879778
(9S,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
CID 101390167
(9R,10R,14R)-5,5,12,12-tetramethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
CID 101390171
(1S,2R,4R,8R,9S,12R)-6,6-dimethyl-14,15-diphenyl-3,5,7,10,13-pentaoxa-14-azatetracyclo[10.2.1.02,9.04,8]pentadecane
CID 101848695
(1R,9S,10R,14R)-5,12,12-trimethyl-3-phenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
CID 101848698
(1R,2S,5S,6R,9S,10R,14R)-12,12-dimethyl-3,5-diphenyl-4,8,11,13,15-pentaoxa-3-azatetracyclo[7.6.0.02,6.010,14]pentadecane
CID 101848699

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane?
The IUPAC name of (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane (CID 10448050) is (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane.
What is the SMILES notation for (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane?
The canonical SMILES for (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane is c1ccc([C@@H]2[C@H]3[C@@H]4OC[C@H](C[C@H]3ON2c2ccccc2)O4)cc1.
What is the InChIKey of (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane?
The InChIKey is QEVYTHZHXHXWOC-ZWJWXYIHSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-7-13(8-4-1)18-17-16(11-15-12-21-19(17)22-15)23-20(18)14-9-5-2-6-10-14/h1-10,15-19H,11-12H2/t15-,16+,17-,18+,19+/m0/s1.
What are the key properties of (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane?
(1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane has a molecular weight of 309.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,6R,8S)-3,4-diphenyl-5,10,11-trioxa-4-azatricyclo[6.2.1.02,6]undecane is sourced from PubChem (CID 10448050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).