(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane

C22H32N2O2 — CID 11844865

IUPAC(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@H]3[C@@H](CN1C2(C)C)[C@H](c1ccccc1)ON3C
InChIInChI=1S/C22H32N2O2/c1-14-10-11-17-18(12-14)25-21-19-16(13-24(21)22(17,2)3)20(26-23(19)4)15-8-6-5-7-9-15/h5-9,14,16-21H,10-13H2,1-4H3/t14-,16-,17-,18-,19-,20+,21+/m1/s1
InChIKeyIDOZRBIXJJZQPW-QTAXEDJGSA-N
MW356.51 g/mol
LogP3.84
Rot. Bonds1

About (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane

(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane (PubChem CID 11844865) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane.

Molecular Properties

Compound Name(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
PubChem CID11844865
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
SMILESC[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@H]3[C@@H](CN1C2(C)C)[C@H](c1ccccc1)ON3C
InChIInChI=1S/C22H32N2O2/c1-14-10-11-17-18(12-14)25-21-19-16(13-24(21)22(17,2)3)20(26-23(19)4)15-8-6-5-7-9-15/h5-9,14,16-21H,10-13H2,1-4H3/t14-,16-,17-,18-,19-,20+,21+/m1/s1
InChIKeyIDOZRBIXJJZQPW-QTAXEDJGSA-N
XLogP3.84
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
The IUPAC name of (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane (CID 11844865) is (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane.
What is the SMILES notation for (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
The canonical SMILES for (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane is C[C@@H]1CC[C@@H]2[C@@H](C1)O[C@H]1[C@H]3[C@@H](CN1C2(C)C)[C@H](c1ccccc1)ON3C.
What is the InChIKey of (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
The InChIKey is IDOZRBIXJJZQPW-QTAXEDJGSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-14-10-11-17-18(12-14)25-21-19-16(13-24(21)22(17,2)3)20(26-23(19)4)15-8-6-5-7-9-15/h5-9,14,16-21H,10-13H2,1-4H3/t14-,16-,17-,18-,19-,20+,21+/m1/s1.
What are the key properties of (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane has a molecular weight of 356.51 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9,13-dioxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane is sourced from PubChem (CID 11844865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).