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

C23H34N2O — CID 12013840

IUPAC(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-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)CN3C
InChIInChI=1S/C23H34N2O/c1-15-10-11-19-20(12-15)26-22-21-18(14-25(22)23(19,2)3)17(13-24(21)4)16-8-6-5-7-9-16/h5-9,15,17-22H,10-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22+/m1/s1
InChIKeyURJOMDSOLYCDPD-OJTJMGTMSA-N
MW354.54 g/mol
LogP3.96
Rot. Bonds1

About (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-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-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane (PubChem CID 12013840) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-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-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane
PubChem CID12013840
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name(3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-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)CN3C
InChIInChI=1S/C23H34N2O/c1-15-10-11-19-20(12-15)26-22-21-18(14-25(22)23(19,2)3)17(13-24(21)4)16-8-6-5-7-9-16/h5-9,15,17-22H,10-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22+/m1/s1
InChIKeyURJOMDSOLYCDPD-OJTJMGTMSA-N
XLogP3.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-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-oxa-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-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane (CID 12013840) is (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-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-oxa-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-oxa-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)CN3C.
What is the InChIKey of (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane?
The InChIKey is URJOMDSOLYCDPD-OJTJMGTMSA-N. The full InChI is InChI=1S/C23H34N2O/c1-15-10-11-19-20(12-15)26-22-21-18(14-25(22)23(19,2)3)17(13-24(21)4)16-8-6-5-7-9-16/h5-9,15,17-22H,10-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22+/m1/s1.
What are the key properties of (3S,6R,8R,10S,11R,14R,15R)-2,2,6,12-tetramethyl-14-phenyl-9-oxa-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-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane has a molecular weight of 354.54 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 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-oxa-1,12-diazatetracyclo[8.6.0.03,8.011,15]hexadecane is sourced from PubChem (CID 12013840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).