(3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane

C23H35NO2 — CID 11991841

IUPAC(3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
SMILESCC(C)[C@@H]1CN2[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C2(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H35NO2/c1-15(2)20-14-24-22(21(25-20)17-9-7-6-8-10-17)26-19-13-16(3)11-12-18(19)23(24,4)5/h6-10,15-16,18-22H,11-14H2,1-5H3/t16-,18-,19-,20+,21+,22+/m1/s1
InChIKeyHUPWMWZOZULOID-GDGLQOOESA-N
MW357.54 g/mol
LogP5.02
Rot. Bonds2

About (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane

(3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane (PubChem CID 11991841) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane.

Molecular Properties

Compound Name(3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
PubChem CID11991841
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name(3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane
SMILESCC(C)[C@@H]1CN2[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C2(C)C)[C@H](c2ccccc2)O1
InChIInChI=1S/C23H35NO2/c1-15(2)20-14-24-22(21(25-20)17-9-7-6-8-10-17)26-19-13-16(3)11-12-18(19)23(24,4)5/h6-10,15-16,18-22H,11-14H2,1-5H3/t16-,18-,19-,20+,21+,22+/m1/s1
InChIKeyHUPWMWZOZULOID-GDGLQOOESA-N
XLogP5.02
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The IUPAC name of (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane (CID 11991841) is (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane.
What is the SMILES notation for (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The canonical SMILES for (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane is CC(C)[C@@H]1CN2[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C2(C)C)[C@H](c2ccccc2)O1.
What is the InChIKey of (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
The InChIKey is HUPWMWZOZULOID-GDGLQOOESA-N. The full InChI is InChI=1S/C23H35NO2/c1-15(2)20-14-24-22(21(25-20)17-9-7-6-8-10-17)26-19-13-16(3)11-12-18(19)23(24,4)5/h6-10,15-16,18-22H,11-14H2,1-5H3/t16-,18-,19-,20+,21+,22+/m1/s1.
What are the key properties of (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane?
(3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane has a molecular weight of 357.54 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,8R,10S,11S,13R)-2,2,6-trimethyl-11-phenyl-13-propan-2-yl-9,12-dioxa-1-azatricyclo[8.4.0.03,8]tetradecane is sourced from PubChem (CID 11991841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).