(1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene

C26H33NO — CID 134998691

IUPAC(1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
SMILESC[C@@H]1CCC2C(C1)O[C@H]1c3ccccc3[C@H](Cc3ccccc3)CN1C2(C)C
InChIInChI=1S/C26H33NO/c1-18-13-14-23-24(15-18)28-25-22-12-8-7-11-21(22)20(17-27(25)26(23,2)3)16-19-9-5-4-6-10-19/h4-12,18,20,23-25H,13-17H2,1-3H3/t18-,20-,23?,24?,25+/m1/s1
InChIKeyYJXZOYDXMLUWFO-QRDVMUARSA-N
MW375.56 g/mol
LogP5.94
Rot. Bonds2

About (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene

(1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene (PubChem CID 134998691) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene.

Molecular Properties

Compound Name(1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
PubChem CID134998691
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC Name(1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene
SMILESC[C@@H]1CCC2C(C1)O[C@H]1c3ccccc3[C@H](Cc3ccccc3)CN1C2(C)C
InChIInChI=1S/C26H33NO/c1-18-13-14-23-24(15-18)28-25-22-12-8-7-11-21(22)20(17-27(25)26(23,2)3)16-19-9-5-4-6-10-19/h4-12,18,20,23-25H,13-17H2,1-3H3/t18-,20-,23?,24?,25+/m1/s1
InChIKeyYJXZOYDXMLUWFO-QRDVMUARSA-N
XLogP5.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
The IUPAC name of (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene (CID 134998691) is (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene.
What is the SMILES notation for (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
The canonical SMILES for (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene is C[C@@H]1CCC2C(C1)O[C@H]1c3ccccc3[C@H](Cc3ccccc3)CN1C2(C)C.
What is the InChIKey of (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
The InChIKey is YJXZOYDXMLUWFO-QRDVMUARSA-N. The full InChI is InChI=1S/C26H33NO/c1-18-13-14-23-24(15-18)28-25-22-12-8-7-11-21(22)20(17-27(25)26(23,2)3)16-19-9-5-4-6-10-19/h4-12,18,20,23-25H,13-17H2,1-3H3/t18-,20-,23?,24?,25+/m1/s1.
What are the key properties of (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene?
(1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene has a molecular weight of 375.56 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,15R)-8-benzyl-11,11,15-trimethyl-18-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-2,4,6-triene is sourced from PubChem (CID 134998691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).