(3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol

C23H33NO2 — CID 11187391

IUPAC(3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol
SMILESCC1=CCN2[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C2(C)C)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C23H33NO2/c1-16-10-11-19-20(14-16)26-21-23(25,18-8-6-5-7-9-18)15-17(2)12-13-24(21)22(19,3)4/h5-9,12,16,19-21,25H,10-11,13-15H2,1-4H3/t16-,19-,20-,21+,23+/m1/s1
InChIKeyJDIRZZGIIHOJIJ-BBMSBQBJSA-N
MW355.52 g/mol
LogP4.47
Rot. Bonds1

About (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol

(3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol (PubChem CID 11187391) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol.

Molecular Properties

Compound Name(3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol
PubChem CID11187391
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name(3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol
SMILESCC1=CCN2[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C2(C)C)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C23H33NO2/c1-16-10-11-19-20(14-16)26-21-23(25,18-8-6-5-7-9-18)15-17(2)12-13-24(21)22(19,3)4/h5-9,12,16,19-21,25H,10-11,13-15H2,1-4H3/t16-,19-,20-,21+,23+/m1/s1
InChIKeyJDIRZZGIIHOJIJ-BBMSBQBJSA-N
XLogP4.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol with MolForge

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Related Compounds

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3-(4-Ethylphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
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CID 24748022
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CID 12376450
3-(4-Ethylphenyl)-6-methyl-1-morpholin-4-yl-2-phenylheptan-3-ol;hydrochloride
CID 45128062
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CID 11661576
(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'-trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluorohexan-2-ol
CID 11704608
(2S)-2-(3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl)-1,1,1-trifluoro-3-methylbutan-2-ol
CID 135054250
(2S)-2-(3-benzyl-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-2-yl)-1,1,1-trifluorohexan-2-ol
CID 135054251

Frequently Asked Questions

What is the IUPAC name of (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol?
The IUPAC name of (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol (CID 11187391) is (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol.
What is the SMILES notation for (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol?
The canonical SMILES for (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol is CC1=CCN2[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C2(C)C)[C@@](O)(c2ccccc2)C1.
What is the InChIKey of (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol?
The InChIKey is JDIRZZGIIHOJIJ-BBMSBQBJSA-N. The full InChI is InChI=1S/C23H33NO2/c1-16-10-11-19-20(14-16)26-21-23(25,18-8-6-5-7-9-18)15-17(2)12-13-24(21)22(19,3)4/h5-9,12,16,19-21,25H,10-11,13-15H2,1-4H3/t16-,19-,20-,21+,23+/m1/s1.
What are the key properties of (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol?
(3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol has a molecular weight of 355.52 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,8R,10S,11S)-2,2,6,13-tetramethyl-11-phenyl-9-oxa-1-azatricyclo[8.5.0.03,8]pentadec-13-en-11-ol is sourced from PubChem (CID 11187391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).