(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane

C20H21NO4 — CID 14202267

IUPAC(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
SMILESc1ccc([C@@H]2OC[C@@H]3N[C@H]4CO[C@H](c5ccccc5)O[C@H]4[C@@H]3O2)cc1
InChIInChI=1S/C20H21NO4/c1-3-7-13(8-4-1)19-22-11-15-17(24-19)18-16(21-15)12-23-20(25-18)14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18+,19-,20+/m0/s1
InChIKeyTZZNORDFNLLOEI-YDETXVTLSA-N
MW339.39 g/mol
LogP2.56
Rot. Bonds2

About (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane

(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane (PubChem CID 14202267) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane.

Molecular Properties

Compound Name(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
PubChem CID14202267
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane
SMILESc1ccc([C@@H]2OC[C@@H]3N[C@H]4CO[C@H](c5ccccc5)O[C@H]4[C@@H]3O2)cc1
InChIInChI=1S/C20H21NO4/c1-3-7-13(8-4-1)19-22-11-15-17(24-19)18-16(21-15)12-23-20(25-18)14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18+,19-,20+/m0/s1
InChIKeyTZZNORDFNLLOEI-YDETXVTLSA-N
XLogP2.56
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-[(4S,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 90322628
(4S,5R)-4-[(4R,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 102461331
(4S,5S)-4-[(4S,5S)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 176837277
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441
(5R)-4-[(4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-phenyl-1,3-dioxan-5-ol
CID 22309099
(4aR,7S,8R,8aR)-2-phenyl-4a,5,6,7,8,8a-hexahydro-4H-[1,3]dioxino[5,4-b]pyridine-7,8-diol
CID 102415314
(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884
(1R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 144720661
(2S,4S)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 58060694
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
2-phenyl-1,3-dioxolan-4-ol
CID 23288237
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 4094030

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane?
The IUPAC name of (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane (CID 14202267) is (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane.
What is the SMILES notation for (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane?
The canonical SMILES for (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane is c1ccc([C@@H]2OC[C@@H]3N[C@H]4CO[C@H](c5ccccc5)O[C@H]4[C@@H]3O2)cc1.
What is the InChIKey of (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane?
The InChIKey is TZZNORDFNLLOEI-YDETXVTLSA-N. The full InChI is InChI=1S/C20H21NO4/c1-3-7-13(8-4-1)19-22-11-15-17(24-19)18-16(21-15)12-23-20(25-18)14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18+,19-,20+/m0/s1.
What are the key properties of (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane?
(1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane has a molecular weight of 339.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,7S,9S,12R)-4,12-diphenyl-3,5,11,13-tetraoxa-8-azatricyclo[7.4.0.02,7]tridecane is sourced from PubChem (CID 14202267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).